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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

TRUST-EABM Nonlinear Dynamics (ND) Report (Release FY2020-1.1)

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests (TRUST) project is to support the efficient and responsive development of experimental, modeling, and simulation capabilities for future systems by developing representative testbeds that can be exercised more easily and efficiently than a WR-like assembly for the purposes uncertainty quantification. The testbeds are intended to be experimentally exercised in current and future relevant engineering environments with complementary modeling and simulation.

42 ENGINEERING↗
DOE OSTI2017

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier–Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle–particle coupling barely influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Standard High Solids Vessel Design De-inventory Simulant Qualification

The Hanford Tank Waste Treatment and Immobilization Plant (WTP) is working to develop a Standard High Solids Vessel Design (SHSVD) process vessel. To support testing of this new design, WTP engineering staff requested that a Newtonian simulant be developed that would represent the de-inventory (residual high-density tank solids cleanout) process. Its basis and target characteristics are defined in 24590-WTP-ES-ENG-16-021 and implemented through PNNL Test Plan TP-WTPSP-132 Rev. 1.0. This document describes the de-inventory Newtonian carrier fluid (DNCF) simulant composition that will satisfy the basis requirement to mimic the density (1.18 g/mL ± 0.1 g/mL) and viscosity (2.8 cP ± 0.5 cP) of 5 M NaOH at 25 °C.1 The simulant viscosity changes significantly with temperature. Therefore, various solution compositions may be required, dependent on the test stand process temperature range, to meet these requirements. Table ES.1 provides DNCF compositions at selected temperatures that will meet the density and viscosity specifications as well as the temperature range at which the solution will meet the acceptable viscosity tolerance.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Advances in the Co-Simulation of Detailed Electrical and Whole-Building Energy Performance

This article describes recent co-simulation advances for the simultaneous modeling of detailed building electrical distribution systems and whole-building energy performance. The co-simulation architecture combines the EnergyPlus® engine for whole-building energy modeling with a new Modelica library for building an electrical distribution system model that is based on harmonic power flow. This new library allows for a higher-fidelity modeling of electrical power flows and losses within buildings than is available with current building electrical modeling software. We demonstrate the feasibility of the architecture by modeling a simple, two-zone thermal chamber with internal power electronics converters and resistive loads, and we validate the model using experimental data. The proposed co-simulation capability significantly expands the capabilities of building electrical distribution system models in the context of whole-building energy modeling, thus enabling more complex analyses than would have been possible with individual building performance simulation tools that are used to date.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Regulation of Cathode Mass and Charge Transfer by Structural 3D Engineering for Protonic Ceramic Fuel Cell at 400 °C

Abstract Lowering the operating temperature (ideally below 400 °C) for solid oxide fuel cell (SOFC) technology deployment has been an important transition that introduces the benefit of reduced operational costs and system durability. However, the key technical issue limiting the transition is the sluggish cathodic performance, namely the oxygen reduction reaction (ORR) rate of the conventional sponge‐like cathode dramatically drops as the temperature reduces. In this paper, 3D engineering of a cathode is conducted on a protonic ceramic fuel cell to obtain an enhanced ORR between 400 and 600 °C. Compared with a cell using a conventional sponge‐like cathode, 3D engineering improves the cathode ORR by 41% at 400 °C with a peak power density of 0.410 W cm −2 . A phase field simulation is applied to assist the engineering by understanding the competition between the cathode mass and charge transfer with different cathode porosities. The results show that structural engineering of existing well‐developed cathodes is a simple and effective method to promote cathode ORR for low temperature SOFC by regulating the mass and charge transfer.

Bian, Wenjuan↗
DOE OSTI2018

Hardware-in-the-Loop (HIL) Simulations for Smart Grid Impact Studies

Hardware-in-the-loop (HIL) simulations are increasingly employed in power engineering as more inverter-based generation and smart appliances are connected to the electric grid. HIL techniques allow for the co-simulation of analytical models with actual devices whose complex behavior is computationally inefficient or difficult to model. They also allow for testing the behavior of these devices under adverse conditions that rarely occur in the field but are important to evaluate. This paper provides an overview of how HIL simulations have been used to date and proposes that HIL simulations should play an important role in evaluating new control strategies, especially at the distribution level, that are being proposed to allow for continued affordable and reliable operation of the electric grid. We present a new capability that was developed to evaluate the interactions between residential loads and the smart grid: smart home hardware-in-the-loop. The paper includes results from an HIL experiment that incorporates multiple technologies and controls.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Selection Criteria for Sustainable Fuels for High-Efficiency Spark-Ignition Engines with Examination of their Storage Stability, Impact on Engine Knock, and Fine Particle Emissions

It is possible to significantly improve the efficiency of spark-ignition engines given fuels with improved autoignition, evaporative cooling, and particle emission properties. At the same time, a vast range of different fuel chemistries are accessible from biomass - leading to questions about how fuel chemistries outside the range available from petroleum and ethanol can impact engine operation. This presentation will briefly describe the factors leading to poor efficiency in current SI engines, and the technologies available for improving efficiency. Improved fuel properties that enable high efficiency engine designs to be pursued aggressively will be reviewed, including octane index and sensitivity. A screening process based on fuel properties was applied to a large set of proposed biomass-derived gasoline blendstocks, and the properties of the best blendstocks were evaluated. Some of these fuels exhibit poor stability towards oxidation in the liquid phase, and storage stability studies for alkyl furans and cyclopentanone will be presented in brief. The importance of fuel heat of vaporization for direct injection engines, along with new research on measurement of this parameter, will be presented including an SI engine study of the impact of heat of vaporization on octane index and engine knock. Fuel effects on fine particle emissions and how our understanding breaks down for oxygenates will be discussed. Engine combustion experiments, droplet evaporation simulations, and heat of vaporization measurements conducted to better understand how oxygenates affect particle emissions will be described. This research defines a process that can be used to evaluate fuels for other types of combustion such as diesel, gasoline compression ignition, or strategies with mixed modes.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

DECOVALEX-2019 (Task D: INBEB Final Report)

The DECOVALEX Project is an on-going international research collaboration, established in 1992, to advance the understanding and modeling of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological in geological systems. This document is the final report of Task D which was proposed by the DECOVALEX Project and coordinated by CIMNE_UPC, presenting the technical definitions of the problems studied, approaches applied, achievements made and outstanding issues for future research. Task D of the DECOVALEX 2019 project is devoted to the study of the hydro-mechanical (HM) and thermo-hydro-mechanical (THM) Interactions in Bentonite Engineered Barriers (INBEB). Special attention is paid to the evolution of barrier heterogeneity under transient conditions. A proper understanding of the processes occurring during the transient period requires the appropriate simulation of the behavior of the engineered barrier by means of coupled numerical analyses. In this context, the main objective of the Task is to assess the capabilities of numerical formulations and codes to simulate and interpret the HM and THM behavior of the bentonite barrier, with a particular focus on the final state reached on saturation.

58 GEOSCIENCES↗
DOE OSTI2016

SuperLig® 639 Resin Performance using 8 Molar LAW Feed

All prior testing with SuperLig® 639 has been done with the aqueous concentration of LAW at ~5 M [Na+], where the resin sinks, and can be used in a conventional down-flow column orientation. However, the aqueous LAW stream from the Waste Treatment Plant is expected to be ~8 M [Na+]. The resin would float in this higher density liquid, potentially disrupting the ability to achieve a good decontamination due to poor packing of the resin that leads to channeling. Testing was completed with a higher salt concentration in the feed simulant (7.8 M [Na+]) in an engineering-scale apparatus with two columns, each containing ~0.9 L of resin. Testing of this system used a simulant of the LAW solution, and substituted ReO4 - as a surrogate for TcO4 -. Results were then compared using computer modeling. Bench-scale testing was also performed, and examined an unconstrained resin bed, while engineering-scale tests used both constrained and unconstrained beds in a two-column, lead and lag sequential arrangement.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Defect engineering of porous aromatic frameworks via end capping improves dioxane removal from water

Amorphous porous organic polymers show promise for energy-efficient adsorptive separations, but it is difficult to understand or improve their performance through intentional structural modification. Herein, we report the synthesis of porous aromatic frameworks (PAFs) with pore structures tailored by the incorporation of a monofunctionalized end-capping monomer that disrupts framework topology. Combining experimental characterization with molecular simulations, we show that this defect engineering strategy yields less densely crosslinked networks, which leads to pore collapse and the presence of unique adsorption sites. These defect-engineered PAFs exhibit enhanced removal of 1,4-dioxane, an important environmental pollutant, from water. Increasing the concentration of end-capping monomers produces PAFs with narrower pore size distributions and improved 1,4-dioxane uptake. These results illustrate that defect engineering can effectively modulate polymer connectivity and porosity for applications in selective adsorptive separations. In conclusion, this technique avoids post-synthetic treatments and presents another approach to tailor amorphous polymeric adsorbents.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of non-thermal termolecular chemistry on detonation development in hydrogen (H2) / methane (CH4) - air mixtures

In combustion simulations, it is usually assumed that highly-energized collision complexes (either radical or stable species) formed in exothermic reactions are always under thermal equilibrium as they evolve through competing networks of reactions. However, in practical flames, non-trivial amounts of reactive radicals such as H, O and OH are present apart from O2. As a result, collisions of these reactive species with the energized collision complexes have been shown in recent studies to induce non-thermal reactivity. These studies have also demonstrated that such non-thermal reactions can be suitably represented in macroscopic kinetics models as chemically termolecular reactions. The present work was focused on identifying and quantifying the effects of including such reactions on the evolution of an initial deflagration front to a developing detonation in H2/CH4-air mixtures under boosted internal combustion (IC) engine conditions. Specifically, fully resolved simulations, with and without non-thermal reactivity, were performed for a constant volume reactor containing stoichiometric H2/CH4-air mixture. It was found that inclusion of termolecular chemistry resulted in a delayed onset of end-gas auto-ignition. Concurrently, the developing detonation intensity was observed to be significantly higher. Chemical explosive mode analysis (CEMA) was performed to identify the dominant species/reactions responsible for the observed variation in the results.

Detonation↗
DOE OSTI2016

Simulation of a spiking neuron circuit using carbon nanotube transistors

Neuromorphic engineering is related to the existing analogies between the physical semiconductor VLSI (Very Large Scale Integration) and biophysics. Neuromorphic systems propose to reproduce the structure and function of biological neural systems for transferring their calculation capacity on silicon. Since the innovative research of Carver Mead, the neuromorphic engineering continues to emerge remarkable implementation of biological system. This work presents a simulation of an elementary neuron cell with a carbon nanotube transistor (CNTFET) based technology. The model of the cell neuron which was simulated is called integrate and fire (I&F) model firstly introduced by G. Indiveri in 2009. This circuit has been simulated with CNTFET technology using ADS environment to verify the neuromorphic activities in terms of membrane potential. This work has demonstrated the efficiency of this emergent device; i.e CNTFET on the design of such architecture in terms of power consumption and technology integration density.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Asymptotic Expansion Homogenization for Multiscale Nuclear Fuel Analysis

Engineering scale nuclear fuel performance simulations can benefit by utilizing high-fidelity models running at a lower length scale. Lower length-scale models provide a detailed view of the material behavior that is used to determine the average material response at the macroscale. These lower length-scale calculations may provide insight into material behavior where experimental data is sparse or nonexistent. This multiscale approach is especially useful in the nuclear field, since irradiation experiments are difficult and expensive to conduct. The lower length-scale models complement the experiments by influencing the types of experiments required and by reducing the total number of experiments needed. This multiscale modeling approach is a central motivation in the development of the BISON-MARMOT fuel performance codes at Idaho National Laboratory. These codes seek to provide more accurate and predictive solutions for nuclear fuel behavior. One critical aspect of multiscale modeling is the ability to extract the relevant information from the lower length-scale sim- ulations. One approach, the asymptotic expansion homogenization (AEH) technique, has proven to be an effective method for determining homogenized material parameters. The AEH technique prescribes a system of equations to solve at the microscale that are used to compute homogenized material constants for use at the engineering scale. In this work, we employ AEH to explore the effect of evolving microstructural thermal conductivity and elastic constants on nuclear fuel performance. We show that the AEH approach fits cleanly into the BISON and MARMOT codes and provides a natural, multidimensional homogenization capability.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Large-eddy simulation study on cycle-to-cycle variation of knocking combustion in a spark-ignition engine

The cycle-to-cycle variation in the knock intensity is commonly encountered under abnormal combustion conditions. The severity of these abnormal combustion events can vary significantly, and the efficiency of engines at high loads is limited in practice by heavy knocking phenomena. Since, a thorough analysis of such recurrent but non-cyclic phenomena via experiments alone becomes highly cumbersome, in the present work, a multi-cycle large-eddy simulation study was performed to quantitatively predict cyclic variability in the combustion process and cyclic knock intensity variability in a direct injection spark-ignition engine. To account for the turbulence-chemistry interaction effects on flame propagation, the G-equation combustion model was used. Detailed chemistry was solved outside the flame front with a toluene primary reference fuel skeletal kinetic mechanism. For both the mild knock and heavy knock conditions, the numerical results were validated against experimental measurements. Based on the simulation results, a correlation analysis was performed considering combustion phasing, peak cylinder pressure and maximum amplitude of pressure oscillation. Furthermore, a detailed three-dimensional spatial analysis illustrated the evolution of auto-ignition kernel development and propagation of pressure waves during knocking combustion for three typical cycles with different knock intensities. In this process, it was found that an early occurrence of auto-ignition in the end gas was prone to high knock intensity. Although multiple auto-ignition kernels were observed in different cycles, the degree of coupling between chemical heat release and pressure waves varied, thereby leading to different maximum amplitude of pressure oscillation values.

42 ENGINEERING↗
DOE OSTI2015

Multidimensional simulations of core-collapse supernovae and

Core-collapse supernovae (CCSNe), the culmination of massive stellar evolution, are the principle actors in the story of our elemental origins. Our understanding of these events, while still incomplete, centers around a neutrino-driven central engine which is highly hydrodynamically-unstable. Simulations of increasing sophistication show a shock that stalls for hundreds of milliseconds before reviving. Though brought back to life by neutrino heating, the development of the supernova explosion is inextricably linked to three dimensional fluid flows. Regrettably, much of our understanding of the nucleosynthesis that occurs in these explosions, and their impact on galactic chemical evolution, is based on spherically symmetric simulations with parameterized explosions, ignoring much that has been learned about the central engine of these supernovae over the past two decades. Here in this paper we discuss recent results from two-dimensional CCSN simulations using our CHIMERA code, as well as ongoing three-dimensional simulations, and discuss how the multidimensional character of the explosions directly impacts the nucleosynthesis and other observables of core-collapse supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Real-Twin

Real-Twin is a unified, model-agnostic scenario generation tool designed to streamline and standardize the evaluation of emerging mobility technologies. It provides an end-to-end framework that includes robust workflows, integrated tools, and comprehensive metrics to generate, calibrate, and benchmark microscopic traffic simulation scenarios across multiple platforms. Key Features of Real-Twin include: - Unified Scenario Generation: generate transferable, simulation-ready scenarios from heterogeneous data sources using a consistent workflow. - Automated Calibration Workflow: bridges simulation and real-world data, minimizing manual effort and making traffic simulation more accessible to researchers and engineers. - Model-Agnostic Compatibility: supports SUMO, VISSIM, and AIMSUN for cross-platform scenario generation and benchmarking. Enables reliable comparisons and reproducibility across different simulation tools. - Consistent Scenarios across Different Simulators: generate comparable simulation scenarios across different microscopic traffic simulators, providing users the ability to conduct benchmarking and cross-validation that are crucial for ensuring the reliability and reproducibility of simulation results. - Emerging Technology Support: includes a scenario database and pipeline for studying autonomous vehicles (AVs), with planned extensions to CAVs, EVs, and other advanced technologies.

Wang, Chieh (Ross) [Oak Ridge National Laboratory ↗