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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Performance and Emissions of an SI Engine Fueled With DME-Propane Blends

Dimethyl Ether (DME) is an alternative fuel that can be produced renewably and has the potential for lower CO and NOx emissions than conventional petroleum-based fuels. Blending DME with another gaseous fuel such as propane, which has a lower knock tendency than gasoline, can allow this fuel to be leveraged on SI engines. In this study, the use of DME-propane blends on a spark ignition (SI) engine was studied via computer simulations in order to understand the impact on engine performance and emissions and to identify the knock limitations of using such fuel blends. A 2L Hyundai SI engine was modeled in GT Power and the model was validated by comparing it with computational fluid dynamics (CFD) simulation results. Starting from pure propane, DME was added incrementally until knock was observed in the engine. Results indicate that it is feasible to run propane with DME percentages up to 35% before severe knock impacts were observed. The BTE was higher, but the BSFC also increased for DME-propane blends as compared to gasoline. Here, an increase in NOx emissions was detected along with a significant decrease in CO emissions. CO 2 emissions declined for propane as compared to gasoline but increased with the addition of DME.

alternative fuels↗
DOE OSTI2024

Assessing Resilience in Lane Detection Methods: Infrastructure-Based Sensors and Traditional Approaches for Autonomous Vehicles

Traditional autonomous vehicle perception subsystems that use onboard sensors have the drawbacks of high computational load and data duplication. Infrastructure-based sensors, which can provide high quality information without the computational burden and data duplication, are an alternative to traditional autonomous vehicle perception subsystems. However, these technologies are still in the early stages of development and have not been extensively evaluated for lane detection system performance. Therefore, there is a lack of quantitative data on their performance relative to traditional perception methods, especially during hazardous scenarios, such as lane line occlusion, sensor failure, and environmental obstructions. We address this need by evaluating the influence of hazards on the resilience of three different lane detection methods in simulation: (1) traditional camera detection using a U-Net algorithm, (2) radar detections using infrastructure-based radar retro-reflectors (RRs), and (3) direct communication of lane line information using chip-enabled raised pavement markers (CERPMs). The performance of each of these methods is assessed using resilience engineering metrics by simulating the individual methods for each sensor technology’s response to related hazards in the CARLA simulator. Using simulation techniques to replicate these methods and hazards acquires extensive datasets without lengthy time investments. Specifically, the resilience triangle was used to quantitatively measure the resilience of the lane detection system to obtain unique insights into each of the three lane detection methods; notably the infrastructure-based CERPMs and RRs had high resistance to hazards and were not as easily affected as the vision-based U-Net. However, while U-Net was able to recover the fastest from the disruption as compared to the other two methods, it also had the most performance loss. Overall, this study demonstrates that while infrastructure-based lane keeping technologies are still in early development, they have great potential as alternatives to traditional ones.

Patil, Pritesh↗
DOE OSTI2022

Towards fast-charging high-energy lithium-ion batteries: From nano- to micro-structuring perspectives

Electric vehicles (EVs) have been playing an indispensable role in reducing greenhouse gas emissions for our modern society. However, current EVs are difficult to meet people’s diverse travel needs, especially in long endurance and fast-charging capacities. At the heart of this issue is the physicochemical limit of current lithium-ion batteries (LIBs), which are the core parts for powering the vehicles. Hence, LIBs with simultaneous high energy and power are critically required to further promote the development of EVs. Here, in this review, we first summarize the key electrochemical processes in electrochemical reactions which lead to the corresponding overpotentials in or between multiple battery components. Furthermore, numerical simulations are employed to quantitatively analyze the effects of versatile electrode parameters on electrochemical properties in high-energy NMC811//graphite systems. On the basis of the in-depth understandings from simulation, recent experimental efforts on designing electroactive materials and electrode architectures across multiple length scales are discussed. Among them, nano-structuring can promote local mass transport and stabilize the interfaces at the particle level, while micro-structuring can establish efficient pathways for charge carriers at the electrode level. Finally, we conclude that a tight feedback loop among structure engineering, characterization and simulation should be followed to speed up the understanding of the deficiencies existing in current electrode designs as well as point out the possible electrode optimization routes for next-generation fast-charging LIBs.

25 ENERGY STORAGE↗
DOE OSTI2019

Spray characterization for engine combustion network Spray G injector using high-fidelity simulation with detailed injector geometry

This article presents a computational fluid dynamics study of the engine combustion network Spray G, focusing on the transient characteristics of the spray during the start of injection and the impacts of nozzle geometry details derived from the manufacturing process. The large-eddy-simulation method, coupled with the volume-of-fluid method, was used to model the high-speed turbulent two-phase flow. A moving-needle boundary condition was applied to capture the internal flow boundary condition accurately. The injector geometry was measured with micron-level resolution using X-ray tomographic imaging at the Advanced Photon Source at Argonne National Laboratory, providing detailed machining tolerance and defects from manufacturing and a realistic rough surface. For comparison, a nominal geometry and a modified geometry incorporating measured large-scale geometric features but no surface details were also used in the simulations. Spray characteristics such as mass flow rate, injection velocity, and Sauter mean diameter were analyzed. Significantly distinct spray characteristics in terms of injection velocity, spray morphology, and primary breakup mechanism were predicted using different nozzle geometries, which is mainly attributable to the realistic surface finish and manufacturing defects. The measured high-resolution geometry predicts a lower injection velocity, a wider-spreading spray, and an overall slower breakup rate with evident injector tip wetting compared to the ideally smooth nozzle boundary. This result implies that the manufacturing details of the injector, which are usually ignored in fuel injection studies, have a significant impact on the spray development process and should be taken into account for design optimization.

Yue, Zongyu↗
DOE OSTI2020

Effects of molar expansion ratio of fuels on engine efficiency

Fuel properties have a strong impact on the efficiency of internal combustion engines. Contrary to other physical and thermochemical fuel properties, the molar expansion ratio is normally ignored. Molar expansion ratio is the ratio of number of moles of the products to the reactants. In this work, the impact of the fuel’s molar expansion ratio on engine efficiency is investigated. Findings are based on simulations of a spark ignition engine using different fuels (standard fuels and user-defined fuels) and different dilution ratios. Simulations without heat transfer and friction were performed first. The combustion then takes place at top dead center with a very short combustion duration to approach the ideal Otto cycle. The heat transfer and friction were then added step by step. From this analysis, it could be concluded that the heat loss and friction work decrease as molar expansion ratio increases. The gross indicated and brake thermal efficiencies thus increase. User-defined fuels with different molar expansion ratio, but the same physical and thermochemical properties were then employed. The simulated results showed that the brake thermal efficiency increases by around 1.15% with an increase in molar expansion ratio of 0.02 compared to a fuel with a molar expansion ratio of unity. Lastly, the simulation was also done with air and exhaust gas recirculation dilution.

42 ENGINEERING↗
DOE OSTI2023

Evaluation of Distributed Power Apportioning with Net Load Management Engine in Microgrids Using Power Hardware-in-the-Loop Simulation

This article presents the performance evaluation of ratio consensus-based distributed power apportioning engine along with centralized net load management (NLM) engine that ensures viable and stable operation of an islanded microgrid. Managing net load variability in a microgrid with high penetrations of uncertain renewable generation and ever-changing load demands is a crucial need in order to ensure viable and stable operation of the microgrid. Centralized “dispatch-rule”-based and/or multi-agent-based distributed control of distributed energy resources (DERs) in microgrid are well accepted for microgrid by adapting ANSI/ISA-95-based hierarchical control architecture. In the application where microgrid network has large geographical span with multiple DERs dispersed in the network, high penetration of uncertain renewable energy resources, and ever-changing load demands, a judicious selection of techniques/solutions for managing net-load resources for maintaining viability and stability is required. With this motivation, this article proposes a novel solution to mitigate the challenges by incorporating a mixed centralized NLM engine and distributed power apportioning control of DERs and loads. A power-hardware-in-the-loop (PHIL) -based experiment is conducted with the centralized NLM engine and the distributed power apportioning engine along with two commercial inverters. The experimental results validates the efficacy of the proposed method in ensuring viability and stability of a microgrid.

hardware-in-the-loop simulation↗
DOE OSTI2018

A near one-dimensional indirectly driven implosion at convergence ratio 30

Inertial confinement fusion cryogenic-layered implosions at the National Ignition Facility, while successfully demonstrating self-heating due to alpha-particle deposition, have fallen short of the performance predicted by one-dimensional (1D) multi-physics implosion simulations. The current understanding, from experimental evidence as well as simulations, suggests that engineering features such as the capsule tent and fill tube, as well as time-dependent low-mode asymmetry, are to blame for the lack of agreement. A short series of experiments designed specifically to avoid these degradations to the implosion are described here in order to understand if, once they are removed, a high-convergence cryogenic-layered deuterium-tritium implosion can achieve the 1D simulated performance. The result is a cryogenic layered implosion, round at stagnation, that matches closely the performance predicted by 1D simulations. This agreement can then be exploited to examine the sensitivity of approximations in the model to the constraints imposed by the data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

EQSIM—A multidisciplinary framework for fault-to-structure earthquake simulations on exascale computers part I: Computational models and workflow

Computational simulations have become central to the seismic analysis and design of major infrastructure over the past several decades. Most major structures are now “proof tested” virtually through representative simulations of earthquake-induced response. More recently, with the advancement of high-performance computing (HPC) platforms and the associated massively parallel computational ecosystems, simulation is beginning to play a role in increased understanding and prediction of ground motions for earthquake hazard assessments. However, the computational requirements for regional-scale geophysics-based ground motion simulations are extreme, which has restricted the frequency resolution of direct simulations and limited the ability to perform the large number of simulations required to numerically explore the problem parametric space. In this article, recent developments toward an integrated, multidisciplinary earth science-engineering computational framework for the regional-scale simulation of both ground motions and resulting structural response are described with a particular emphasis on advancing simulations to frequencies relevant to engineered systems. This multidisciplinary computational development is being carried out as part of the US Department of Energy (DOE) Exascale Computing Project with the goal of achieving a computational framework poised to exploit emerging DOE exaflop computer platforms scheduled for the 2022–2023 timeframe.

58 GEOSCIENCES↗
DOE OSTI2024

Method for Real-Time Salt Aerosol Concentration and Size Measurements for Molten Salt Reactor Safety Assessments

Licensing a new nuclear reactor involves evaluating credible accident scenarios by developing models that simulate accident progression to predict possible outcomes and their impact on safety. The formation of radionuclide-bearing aerosols in the respirable size range can significantly affect dose consequence and threaten human health and is therefore a focus of nuclear reactor safety assessments. Recent reviews of the literature identified a lack of existing experimental data describing the mechanisms of formation and properties (size, concentration, and composition) of radionuclide-bearing aerosols that may be produced from molten salt reactor (MSR) facilities during postulated accident scenarios. Experiments on aerosol formation from molten salt systems are a high priority need that will support MSR licensing by indicating the radiological consequences of aerosol formation and providing the data required for model development and validation. The evolving conditions that occur during a MSR accident, such as a spill of molten fuel salt, may affect aerosol formation mechanisms and aerosol properties over time. There is a need to conduct experiments that simulate credible MSR accidents in a laboratory to generate aerosols with realistic characteristics and behaviors and a need to measure these aerosols in real time under accident-relevant conditions. This report describes the development of a method that can be used to quantify the size and concentration of salt aerosol particles that form from molten salt systems in real time. This method will be employed in future integral effects tests that are conducted at an engineering scale to simulate realistic MSR accidents and in future separate effects tests that will provide mechanistic insight into aerosol formation and properties to support process model development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

EnergyPlus™ v.23.2.0 2023 [SWR-17-23]

EnergyPlus™ is a whole building energy simulation program that engineers, architects, and researchers use to model both energy consumption and water use in buildings. This is the EnergyPlus Development Repository. The Department of Energy maintains a public website for EnergyPlus where you can find much more information about the program. https://energyplus.net/ For detailed developer information, consult the wiki. https://github.com/NREL/EnergyPlus/wiki Many users (and developers) of EnergyPlus are active on Unmet Hours, so that's a great place to start if you have a question about EnergyPlus or building simulation. https://unmethours.com/questions/ For more in-depth, developer-driven support, please utilize the EnergyPlus Helpdesk. https://energyplushelp.freshdesk.com/support/home

Woods, Jason↗
DOE OSTI2018

Introducing GEOPHIRES v2.0: Updated Geothermal Techno-Economic Simulation Tool

This paper presents an updated version of the geothermal techno-economic simulation tool GEOPHIRES (GEOthermal energy for Production of Heat and electricity ('IR') Economically Simulated). GEOPHIRES combines engineering models of the reservoir, wellbores, and surface plant facilities of a geothermal plant with an economic model to estimate the capital and operation and maintenance costs, lifetime energy production, and overall levelized cost of energy. The available end-use options are electricity, direct-use heat, and cogeneration. The main updates in the new version include conversion of the source code from FORTRAN to Python, the option to import temperature data (e.g., measured or from stand-alone reservoir simulator), updated cost correlations, and more flexibility in selecting the time step and number of injection and production wells. In this paper, we provide an overview of all the updates and two case studies to illustrate the tool's new capabilities.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

PUFFIn Software Modeling for Quality Management

PUFFIn (PENELOPE User Friendly Fast Interface) was designed as a fast and simple Monte Carlo simulation tool for the transport of photons and electrons, with a primary purpose as a learning and education tool for a broad range of static configurations in the radiation processing industry. Development of the PUFFIn software is funded by the Office of Radiological Security (ORS) within the United States National Nuclear Security Administration (NNSA). PUFFIn helps fill the education and knowledge gaps in the industry, as identified in reports by Fermilab (2017) and the IAEA (2020). PUFFIn uses the PENELOPE (NEA-2023) physics engine to perform simulations on static configurations. PUFFIn has support for multiple geometry types from simple, single material simulations to full 3D configurations created from CAD input files or images from X-Ray Tomography scans. PUFFin was designed to be easy for the novice user, it will generate the input and geometry files required by PENLOPE and will display the output plots within the PUFFIn interface. PUFFin is distributed for free but requires a free workshop so users can be adequately trained in its use. Workshops have been presented in the past at Texas A&M university, the Aerial-CRT facility in Strasbourg France and Jakarta Indonesia. PUFFIn simulations have been validated by 10 MeV ebeam experiments done at Aerial-CRT in France (Radiation Physics and Chemistry 222 (2024) 111774). Further user experimental comparisons were made at the medical product hands on workshop at Texas A&M in October 2024.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

A multiphase flow model of water droplets dielectrophoretic-induced air dehumidification phenomena

Air humidity in indoor spaces plays a critical role in human comfort and health. Dehumidification systems are used for building humidity controls, but they can take significant energy consumption, especially in geographic locations with high outdoor humidity and warm climates. Consequently, there is a growing demand for innovative dehumidification processes that consume minimal energy. Dielectrophoretic air dehumidification represents one such promising approach. However, it has not garnered significant attention due to the absence of engineering models and simulation tools capable of evaluating its performance and limitations at large-scale airflows. A new numerical multiphase CFD model, which is also experimentally validated, is developed in a customized Reacting Foam solver based on OpenFOAM® version 9. The newly developed model seeks to decrease substantial energy consumption and lower costs by leveraging the dielectrophoretic phenomenon to regulate moisture levels in the air. The solver integrates a hybrid Eulerian-Lagrangian framework to track the droplet's trajectory and growth rate while solving the continuum equations for the moist air. An electrospray produces electrically charged droplets, which grow during their in-flight trajectories as water vapor condenses onto their surfaces. The role of electrostatic forces in promoting vapor condensation within a high-gradient electrical field is investigated, and the dielectrophoretic vapor nucleation process on charged water droplets is discussed. The CFD model was validated against results from the literature and from proof-of-concept experiments conducted by the authors, which showed a 2 % air dehumidification with a single electrospray and airflow rate of 5 cubic feet per minute. The simulation results indicated that augmenting the number of electrically charged spray droplets increased the dehumidification of the air to 25 %. The initial mean droplet diameter, the orientation of the injector and relative humidity significantly influence the assessment of dehumidification. As a result, scaling up this approach to larger airflow volumes is identified as a potential future research direction.

42 ENGINEERING↗
DOE OSTI2026

Accelerating kinetic plasma simulations with machine-learning-generated initial conditions

Computational models of plasma technologies often solve for the system operating conditions by time-stepping an initial value problem to a quasi-steady solution. However, the strongly nonlinear and multi-timescale nature of plasma dynamics often necessitate millions, or even hundreds of millions, of steps to reach convergence, reducing the effectiveness of these simulations for computer-aided engineering. We consider acceleration of kinetic plasma simulations via data-driven machine-learning-generated initial conditions, which initialize the simulations close to their final quasi-steady-state, thereby reducing the number of steps to reach convergence. Three machine-learning models are developed to predict the density and ion kinetic profiles of capacitively coupled plasma discharges relevant to the microelectronics industry. The models are trained on kinetic simulations over a range of device operating frequencies and pressures. Best performance was observed when simulations were initialized with ion kinetic profiles generated by a convolutional neural network, reducing the mean number of steps to reach convergence by 17.1× when compared to initialization with a zero-dimensional global model. We also outline a workflow for continuous data-driven model improvement and simulation speedup, with the aim of generating sufficient data for full device digital twins.

Artificial neural networks↗
DOE OSTI2022

Caldera_Grid

Caldera Grid is part of Caldera software platform, a suite of collective, open-source tools that was developed to improve the state of the art in modeling the impacts of Electric Vehicle (EV) charging on the grid. Caldera Grid is a co-simulation framework implemented using Hierarchical Engine for Large scale Infrastructure Co-Simulation (HELICS). The framework facilitates the co-simulation of EV charging and Smart Charge Management (SCM) strategies in Caldera Infrastructure Charge Model (ICM) with distribution level grid models in OpenDSS. Vehicle energy needs and charge session requirements generated using Caldera Charge Decision Module (CDM) are fed in as input to Caldera Grid. The EV charging models in Caldera ICM simulates both the uncontrolled charging loads as well as loads modified by the SCM strategies to develop distributed load profiles for each grid node hosting an Electric Vehicle Supply Equipment (EVSE) – also known as chargers. These loads were simulated in OpenDSS alongside existing distribution feeder loads. Each of these models are co-simulated in a HELICS federate. The HELICS co-simulation framework facilitates communication and synchronization between the federates. By co-simulating EV loads and distribution feeder loads, Caldera Grid can assess the potential grid impacts of EV charging on distribution feeders under various grid conditions. A control strategy federate is implemented with an interface where control strategies based on feedback from EV charging status and grid conditions can be developed and implemented. The platform can also support multiple control strategies in a single co-simulation.

Sundarrajan, ManojKumar Cebol↗
DOE OSTI2025

Application of physics-informed neural networks (PINNs) solution to coupled thermal and hydraulic processes in silty sands

Abstract The accurate modeling of water and heat transport in soils is crucial for both geo-environmental and geothermal engineering. Traditional modeling methods are problematic because they require well-defined boundaries and initial conditions. Recently, physics-informed neural networks (PINNs), which incorporate partial differential equations (PDEs) to solve forward and inverse problems, have attracted increasing attention in machine learning research. In this study, we applied PINNs to tackle hydraulic and thermal transport coupling forward problems in silty sands. A fully connected deep neural network was utilized for training. This neural network model leverages automatic differentiation to apply the governing equations as constraints, based on the mathematical approximations established by the neural network itself. We conducted forward problems and compared the solutions derived from PINNs with those from Finite Element Method (FEM) simulations. The forward problem results demonstrate the PINNs model’s capability in predicting hydraulic transport, heat transport, and thermal–hydraulic coupling in silty sands under various boundary conditions. The PINNs exhibited great performance in simulating the thermal–hydraulic coupling problem. The accuracy of the PINNs solutions shows its potential for simulation in geotechnical engineering.

Feng, Yuan↗
DOE OSTI2021

Coupling of regional geophysics and local soil-structure models in the EQSIM fault-to-structure earthquake simulation framework

Accurate understanding and quantification of the risk to critical infrastructure posed by future large earthquakes continues to be a very challenging problem. Earthquake phenomena are quite complex and traditional approaches to predicting ground motions for future earthquake events have historically been empirically based whereby measured ground motion data from historical earthquakes are homogenized into a common data set and the ground motions for future postulated earthquakes are probabilistically derived based on the historical observations. This procedure has recognized significant limitations, principally due to the fact that earthquake ground motions tend to be dictated by the particular earthquake fault rupture and geologic conditions at a given site and are thus very site-specific. Historical earthquakes recorded at different locations are often only marginally representative. There has been strong and increasing interest in utilizing large-scale, physics-based regional simulations to advance the ability to accurately predict ground motions and associated infrastructure response. However, the computational requirements for simulations at frequencies of engineering interest have proven a major barrier to employing regional scale simulations. In a U.S. Department of Energy Exascale Computing Initiative project, the EQSIM application development is underway to create a framework for fault-to-structure simulations. This framework is being prepared to exploit emerging exascale platforms in order to overcome computational limitations. This article presents the essential methodology and computational workflow employed in EQSIM to couple regional-scale geophysics models with local soil-structure models to achieve a fully integrated, complete fault-to-structure simulation framework. Here, the computational workflow, accuracy and performance of the coupling methodology are illustrated through example fault-to-structure simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

On-line Generation and Error Handling for Surrogate Models within Multifidelity Uncertainty Quantification

Uncertainty quantification is recognized as a fundamental task to obtain predictive numerical simulations. However, many realistic engineering applications require complex and computationally expensive high-fidelity numerical simulations for the accurate characterization of the system responses. Moreover, complex physical models and extreme operative conditions can easily lead to hundreds of uncertain parameters that need to be propagated through high-fidelity codes. Under these circumstances, a single fidelity approach, i.e. a workflow that only uses high-fidelity simulations to perform the uncertainty quantification task, is unfeasible due to the prohibitive overall computational cost. In recent years, multifidelity strategies have been introduced to overcome this issue. The core idea of this family of methods is to combine simulations with varying levels of fidelity/accuracy in order to obtain the multifidelity estimators or surrogates with the same accuracy of their single fidelity counterparts at a much lower computational cost. This goal is usually accomplished by defining a prioria sequence of discretization levels or physical modeling assumptions that can be used to decrease the complexity of a numerical realization and thus its computational cost. However ,less attention has been dedicated to low-fidelity models that can be built directly from the small number of high-fidelity simulations available. In this work we focus our attention on Reduced-Order Models that can be considered a particular class of data-driven approaches. Our main goal is to explore the combination of multifidelity uncertainty quantification and reduced-order models to obtain an efficient framework for propagating uncertainties through expensive numerical codes.

97 MATHEMATICS AND COMPUTING↗