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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Advanced fuel fusion, phase space engineering, and structure-preserving geometric algorithms

Non-thermal advanced fuel fusion trades the requirement of a large amount of recirculating tritium in the system for that of large recirculating power. Phase space engineering technologies utilizing externally injected electromagnetic fields can be applied to meet the challenge of maintaining non-thermal particle distributions at a reasonable cost. The physical processes of the phase space engineering are studied from a theoretical and algorithmic perspective. It is emphasized that the operational space of phase space engineering is limited by the underpinning symplectic dynamics of charged particles. The phase space incompressibility according to the Liouville theorem is just one of many constraints, and Gromov's non-squeezing theorem determines the minimum footprint of the charged particles on every conjugate phase space plane. In this sense and level of sophistication, the mathematical abstraction of phase space engineering is symplectic topology. To simulate the processes of phase space engineering, such as the Maxwell demon and electromagnetic energy extraction, and to accurately calculate the minimum footprints of charged particles, recently developed structure-preserving geometric algorithms can be used. The family of algorithms conserves exactly, on discretized spacetime, symplecticity and thus incompressibility, non-squeezability, and symplectic capacities. The algorithms apply to the dynamics of charged particles under the influence of external electromagnetic fields as well as the charged particle–electromagnetic field system governed by the Vlasov–Maxwell equations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Towards a high performance geometry library for particle-detector simulations

Thread-parallelization and single-instruction multiple data (SIMD) ”vectorisation” of software components in HEP computing has become a necessity to fully benefit from current and future computing hardware. In this context, the Geant-Vector/GPU simulation project aims to re-engineer current software for the simulation of the passage of particles through detectors in order to increase the overall event throughput. As one of the core modules in this area, the geometry library plays a central role and vectorising its algorithms will be one of the cornerstones towards achieving good CPU performance. Here, we report on the progress made in vectorising the shape primitives, as well as in applying new C++ template based optimizations of existing code available in the Geant4, ROOT or USolids geometry libraries. We will focus on a presentation of our software development approach that aims to provide optimized code for all use cases of the library (e.g., single particle and many-particle APIs) and to support different architectures (CPU and GPU) while keeping the code base small, manageable and maintainable. We report on a generic and templated C++ geometry library as a continuation of the AIDA USolids project. As a result, the experience gained with these developments will be beneficial to other parts of the simulation software, such as for the optimization of the physics library, and possibly to other parts of the experiment software stack, such as reconstruction and analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Occupancy Simulator Solver v1.0

Occupant schedules at room level are crucial information to building energy modeling which quantifies occupant-related energy efficiency technologies and controls for new building design as well as existing building retrofits to reduce energy use and GHG emissions in buildings. The Occupancy Simulator Solver is an executable software component that simulates the stochastic behavior of occupant presence and movement in a building using the Markov-chain model. Occupancy Simulator Solver is the calculation engine of the web App Occupancy Simulator, which takes high level input on occupants, spaces and events, then calls the Solver to simulate occupant movement and generate occupant schedules for each space. The generated schedules capture diversity and stochastic nature of occupant activities (e.g., in office, meetings, breaks, lunch). These schedules are stored in CSV files and can be downloaded from the App and used for building performance simulation.

Hong, Tianzhen↗
DOE OSTI2016

Hige Compression Ratio Turbo Gasoline Engine Operation Using Alcohol Enhancement

The overall objective of this project was to quantify the potential for improving the performance and efficiency of gasoline engine technology by use of alcohols to suppress knock. Knock-free operation is obtained by direct injection of a second “anti-knock” fuel such as ethanol, which suppresses knock when, with gasoline fuel, knock would occur. Suppressing knock enables increased turbocharging, engine downsizing, and use of higher compression ratios throughout the engine’s operating map. This project combined engine testing and simulation to define knock onset conditions, with different mixtures of gasoline and alcohol, and with this information quantify the potential for improving the efficiency of turbocharged gasoline spark-ignition engines, and the on-vehicle fuel consumption reductions that could then be realized. The more focused objectives of this project were therefore to: Determine engine efficiency with aggressive turbocharging and downsizing and high compression ratio (up to a compression ratio of 13.5:1) over the engine’s operating range; Determine the knock limits of a turbocharged and downsized engine as a function of engine speed and load; Determine the amount of the knock-suppressing alcohol fuel consumed, through the use of various alcohol-gasoline and alcohol-water gasoline blends, for different driving cycles, relative to the gasoline consumed; Determine implications of using alcohol-boosted engines, with their higher efficiency operation, in both light-duty and medium-duty vehicle sectors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Scalable foundation models for numerical simulations on HPC platforms

In recent years, foundation models (FMs) have begun to reshape numerical simulations on high-performance computing (HPC) platforms. These large, pre-trained AI models enable rapid predictions across a broad range of physical domains, including Earth system modeling, fluid dynamics, materials science, as well as complex multi-modal simulations in aerospace engineering and fusion research. By training on diverse datasets, FMs learn intricate relationships and underlying physical behavior while also enabling the quantification of uncertainty in their predictions. This capability allows simulations that once required days of numerical calculation to be completed in minutes (FM inference), supporting real-time design optimization, uncertainty-aware decision making, and more comprehensive exploration of complex scenarios.

AI↗
DOE OSTI2016

FAST Modularization Framework for Wind Turbine Simulation: Full-System Linearization: Preprint

The wind engineering community relies on multiphysics engineering software to run nonlinear time-domain simulations e.g. for design-standards-based loads analysis. Although most physics involved in wind energy are nonlinear, linearization of the underlying nonlinear system equations is often advantageous to understand the system response and exploit well-established methods and tools for analyzing linear systems. This paper presents the development and verification of the new linearization functionality of the open-source engineering tool FAST v8 for land-based wind turbines, as well as the concepts and mathematical background needed to understand and apply it correctly.

17 WIND ENERGY↗
DOE OSTI2020

Assessment of turbulent combustion models for simulating pre-chamber ignition in a natural gas engine

Lean combustion in an internal combustion engine is a promising strategy to increase thermal efficiency by leveraging a more favorable specific heat ratio of the fresh mixture and simultaneously suppressing the heat losses to the cylinder wall. However, unstable ignition events and slow flame propagation at fuel-lean condition lead to high cycle-to-cycle variability and hence limit the high-efficiency engine operating range. Pre-chamber ignition is considered an effective concept to extend the lean operating limit, by providing spatially distributed ignition with multiple turbulent flame-jets and enabling faster combustion rate compared to the conventional spark ignition approach. From a numerical modeling perspective, to date, still the science base and available simulation tools are inadequate for understanding and predicting the combustion processes in pre-chamber ignited engines. In this paper, conceptually different RANS combustion models widely adopted in the engine modeling community were used to simulate the ignition and combustion processes in a medium-duty natural gas engine with a pre-chamber spark-ignition system. A flamelet-based turbulent combustion model, i.e., G-equation, and a multi-zone well-stirred reactor model were employed for the multi-dimensional study. Simulation results were compared with experimental data in terms of in-cylinder pressure and heat release rate. Finally, the analysis of the performance of the two models is carried out to highlight the strengths and limitations of the two formulations respectively.

combustion model evaluation↗
DOE OSTI2023

Computational study of the ECN spray C via one-way coupling of internal nozzle flow and ensuing spray

Here, in this study, computational fluid dynamics simulations of the Engine Combustion Network Spray C injector were performed to investigate the effect of the internal nozzle flow on the development of the ensuing spray in automotive fuel injectors. A set of simulation best practices was first developed to achieve an accurate representation of the internal nozzle flow. Detailed, spatiotemporally defined information was extracted at the injector’s orifice exit and stored in maps that were subsequently employed to initialize a Lagrangian spray by means of a static, one-way coupling (OWC) approach. To highlight the impact of the in-nozzle flow on the spray, the OWC approach was compared with the conventional rate-of-injection (ROI) approach, for which the spray parcels are commonly initialized using a blob injection model. The results indicated that, using the ROI approach, considerable evaporation was observed within the plume in the near-nozzle region. On the other hand, the OWC approach showed evidence of evaporation farther downstream and at the plume periphery. The different behavior observed with the two approaches was mostly due to substantial differences in fuel mass distribution. The liquid fuel concentration predicted by the OWC approach matched well with X-ray tomography measurements of projected fuel mass per unit volume, in terms of both magnitude and distribution. In contrast, an unphysical distribution of fuel mass characterized by an extremely low liquid concentration was predicted by the ROI approach. In the far-field, the effect of the in-nozzle flow was found to be weaker as the spray penetrated and interacted with the ambient gas. In this region, the OWC and ROI approaches provided similar predictions of vapor penetration, spray morphology, and mixing-related characteristics.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

Efficiency and Emissions Characteristics of an HCCI Engine Fueled by Primary Reference Fuels

Here, this article investigates the effects of various primary reference fuel (PRF) blends, compression ratios, and intake temperatures on the thermodynamics and performance of homogeneous charge compression ignition (HCCI) combustion in a Cooperative Fuels Research (CFR) engine. Combustion phasing was kept constant at a CA50 phasing of 5° after top dead center (aTDC) and the equivalence ratio was kept constant at 0.3. Meanwhile, the compression ratio varied from 8:1 to 15:1 as the PRF blends ranged from pure n-heptane to nearly pure isooctane. The intake temperature was used to match CA50 phasing. In addition to the experimental results, a GT-Power model was constructed to simulate the experimental engine and the model was validated against the experimental data. The GT-Power model and simulation results were used to help analyze the energy flows and thermodynamic conditions tested in the experiment. The results indicate that an increase of compression ratio causes higher thermal efficiency and fuel conversion efficiency; however, at the same compression ratio, an increase in PRF number results in lower efficiency due to the required increase in intake temperature and the associated decrease in charge density. While the efficiency does increase with compression ratio, the results show that the effect of increased expansion work is partially offset by higher heat transfer losses and lower ratios of specific heats at higher compression ratios. The results indicate that the maximum pressure rise rate (MPRR) in HCCI significantly increases with compression ratio. Combustion efficiency shows a strong trend with peak temperature regardless of the PRF number or compression ratio, indicating that the CO-to-CO2 conversion is independent of the parent fuel chemistry in the case of the PRFs, whereas the unburned hydrocarbon emissions showed the opposite trend, depending mostly on the parent fuel’s autoignition tendency.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Modified Isotherm Modeling to Predict Cs Exchange with Crystalline Silicotitanate in Tank Waste Simulants

The U.S. Department of Energy is working to expedite processing of Hanford tank waste supernate at the Hanford Waste Treatment and Immobilization Plant. To support this goal, Washington River Protection Solutions is designing a Tank Side Cesium Removal (TSCR) system for suspended solids and cesium (Cs/ 137 Cs) removal from Hanford tank waste supernate. The ion exchange media selected for Cs removal at TSCR is crystalline silicotitanate (CST) that is manufactured in a nearly spherical form by Honeywell UOP LLC (UOP; Des Plaines, IL) as product IONSIV® R9140-B (Na form). The Zheng Anthony Miller (ZAM) isotherm model (Zheng et al. 1997) is a multicomponent ion exchange model used to predict the exchange of Group I metals onto CST. The ZAM isotherm has historically been used to predict Cs distribution values from Hanford and Savannah River Site (SRS) tank waste simulants. Figure S.1 summarizes model predictions from the ZAM isotherm that indicate poor prediction of Cs distribution values for simple and complex simulants with the engineered form of CST, IONSIV® R9140-B, and IONSIV® R9120-B where the solid line indicates a perfect fit by the model. The dotted lines indicate ±20% error. Batch contact testing with Hanford tank waste complex and simple simulants was used in conjunction with SRS simulants to experimentally determine Cs distribution values using a modification to the original isotherm model. The experimentally determined maximum Cs capacity for IONSIV® R9140-B CST in both the simple and complex matrices was found to be 0.53±0.3 mmoles Cs/g of CST. This value is not drastically different from the maximum Cs capacity of 0.58 mmoles Cs/g TAM-5 reported by Zheng et al. (1997). However, it is important to note that TAM-5 (commercially IONSIV® IE-910) is a powder. Hamm et al. (2002) determined that a dilution factor was needed to account for the Zr(OH)2 binder in the engineered form of CST. Hamm et al. determined that a dilution factor of 0.68 was appropriate to account for binder contribution and correct overprediction of Cs exchange on the engineered form of CST in ZAM calculations. This reduced the total capacity from 0.58 mmol/g with TAM-5 to 0.39 mmol/g for the engineered form of CST (Hamm et al. 2002). Despite substituting the experimentally determined maximum Cs capacity of 0.55 mmoles Cs/g for the literature-reported capacity of 0.39 mmoles Cs/g, it was determined that additional modifications to the model’s equilibrium rate constants were necessary in refining the isotherm model. The modified model overpredicted K+ uptake by the CST when compared to digested CST results described by Campbell et al. (2019). The modified model was further revised to omit three of the five K+ exchange equilibrium reactions described by ZAM to reduce the additional K+ loading seen by the model. Figure S.2 summarizes the revised model isotherm predictions plotted against measured Kd values.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Chapter 2: Advances in Coarse Discrete Particle Methods with Industrial Applications

This chapter provides the full description of a coarse-grained discrete particle method based on a novel hard-sphere contact model for the simulation of industrial-scale fluidized bed reactors. This method is based on simple models that are easy to understand and implement in numerical codes. This technique is verified and validated for several small-scale fluidized systems where numerical data based on finer methods as well as experimental data are available. The speed of execution of this method is increased several orders of magnitudes compared to particle-based discrete methods, which allows for thousands of seconds of flow, heat, and mass transfer simulations of industrial reactors such as fluidized catalytic cracking regenerator, Methanol to Olefins reactor, and Rare Earth Elements leaching reactor, achieved in just few days using commonly available computer resources. It is now possible for the common engineer to conduct simulations of large-scale fluid–particle reactors to understand, design, and troubleshoot, as well as optimize the performance of these complex multiphase flow systems.

Lu, Liqiang↗
DOE OSTI2016

Multi-level computational exploration of advanced combustion engine operating strategies

Advanced combustion engine (ACE) research is typically carried out on single-cylinder research engines. These engines are designed to tightly control fueling and conditions at intake valve closure (IVC) and to precisely measure in-cylinder conditions and emissions. However, to be able to measure and control engine operation so precisely, these research engines typically do not feature intake and exhaust tracts that resemble those in production engines, specifically in regards to turbomachinery, heat exchangers, and exhaust gas recirculation (EGR) systems. For this reason, these research engines are effective for understanding in-cylinder combustion parameters such as heat release rate, burn duration, combustion efficiency, pollutant formation, and exhaust valve opening (EVO) conditions. Here, this paper applies high fidelity simulations to determine the feasibility of achieving a chosen single cylinder engine operating point on a production type homogeneous charge compression ignition (HCCI) engine, using a partial fuel stratification (PFS) strategy. To accomplish this, a Converge 3 dimensional (3D) – computational fluid dynamics (CFD) model of the experimental combustion chamber and intake and exhaust runners was created to simulate the experimental engine. This model was used to simulate an operating point achieved experimentally, as well as to determine the sensitivity of the operating point to variations in intake pressure, intake temperature, injection timing, injected mass, and EGR fraction. The results from these simulations were fed into a 1-dimensional engine simulation created in AVL Boost, featuring production-type intake and exhaust systems, including turbomachinery and heat exchangers necessary to create the required IVC conditions. This full engine simulation was used to assess the cycle efficiency of the engine at the experimental operating condition, and to assess whether changes to this operating point in intake temperature, intake pressure, direct injection timing, or fueling are beneficial to the cycle efficiency and engine-out emissions. In addition, the sensitivity of promising engine operating points to injection timing and injection mass are determined to evaluate the potential stability of these operating points.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

A simulation-based assessment of technologies to reduce heat emissions from buildings

Heat emissions from buildings are part of anthropogenic heat leading to urban overheating. This paper aims to assess how technologies (i.e., energy conservation measures - ECMs), used to decrease energy use, may also reduce heat emissions from buildings. This study employs the physics-based engine EnergyPlus to simulate the main components of heat emissions from buildings to ambient air: envelope, zone, and systems. Hourly simulations are run for IECC single- and multi-family reference models with three representative climates: Miami, Baltimore, and Chicago. The results show that the performance of ECMs varies among weather, seasons, and residential typologies. Particularly, some ECMs (i.e., cool coatings, heat pumps, additional insulation, energy-awareness occupants) show a strong decrease in heat emissions, yet they are not always correlated with proportional decreases in energy use. When all ECMs are combined, the reductions are larger on heat emissions (89%) than on site energy (65%) from the base cases. During summer in Miami, the combination of ECMs shows a decrease in heat emissions from the building surface component of 80% during daytime, 92% for the HVAC component and a counterbalanced increase in the zone component of 88%, bringing to a daily decrease in total heat emissions. The main contributions of this study are quantifying how typical ECMs influence residential building heat emissions using EnergyPlus simulations and informing urban planners and stakeholders on prioritizing measures for mitigating urban overheating problems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Performance Evaluation of Engineered Geothermal Systems Using Discrete Fracture Network Simulations

Electrical power production from geothermal energy has a solid record of success for permeable reservoirs such as The Geysers in northern California and geothermal systems in Iceland and New Zealand, among other places. Such permeable reservoirs, however, represent only a small fraction of the available heat energy in the earth’s shallow crust. Most of the available energy resides in rocks with insufficient permeability and storage to produce commercial volumes of heated fluids.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

A hardware-based heat pump water heater design model for quasi-steady-state simulation

A storage heat pump water heater (HPWH) comprises a vapor compression system and a hot water tank. It can lead to more than 70% energy saving, compared to electric resistance heating. HPWH usually uses a wrapped-tank coil as the water heater. The wrapped coil has a strong interaction with the water tank and impose a new challenge for the engineering design and simulation study. Based on the US DOE/ORNL Heat Pump Design Model (HPDM), a component-based thermal system modelling platform, a segment-to-segment wrapped-tank coil model and a one-dimensional stratified water tank model were developed, which facilitates modeling and design HPWHs having various configurations and components. In the paper, the new HPWH system design model was used to investigate effects of compressor size, refrigerant charge, water draw pattern, and refrigerant type, etc., for predicting 24-hour energy factors and first-hour rating. The HPWH system model was proved to be an effective equipment design tool.

Shen, Bo↗