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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Large-Eddy Simulation of Laser-Ignited Direct Injection Gasoline Spray for Emission Control

Large-Eddy Simulations (LES) of a gasoline spray, where the mixture was ignited rapidly during or after injection, were performed in comparison to a previous experimental study with quantitative flame motion and soot formation data [SAE 2020-01-0291] and an accompanying Reynolds-Averaged Navier–Stokes (RANS) simulation at the same conditions. The present study reveals major shortcomings in common RANS combustion modeling practices that are significantly improved using LES at the conditions of the study, specifically for the phenomenon of rapid ignition in the highly turbulent, stratified mixture. At different ignition timings, benchmarks for the study include spray mixing and evaporation, flame propagation after ignition, and soot formation in rich mixtures. A comparison of the simulations and the experiments showed that the LES with Dynamic Structure turbulence were able to capture correctly the liquid penetration length, and to some extent, spray collapse demonstrated in the experiments. For early and intermediate ignition timings, the LES showed excellent agreement to the measurements in terms of flame structure, extent of flame penetration, and heat-release rate. However, RANS simulations (employing the common G-equation or well-stirred reactor) showed much too rapid flame spread and heat release, with connections to the predicted turbulent kinetic energy. With confidence in the LES for predicted mixture and flame motion, the predicted soot formation/oxidation was also compared to the experiments. The soot location was well captured in the LES, but the soot mass was largely underestimated using the empirical Hiroyasu model. An analysis of the predicted fuel–air mixture was used to explain different flame propagation speeds and soot production tendencies when varying ignition timing.

42 ENGINEERING↗
DOE OSTI2021

Transforming Energy through Computational Excellence. Exascale Computing: Combustion; Simulating Effects of Fuel Injection Location in Supersonic Jet Engines

Computational tractable simulations using an adaptive-mesh-refinement solverfor compressible reacting flows help researchers understand how variations in fuel injection location within the supersonic flow cavity impacts combustion efficiency. By identifying the important physical determinants of the combustion processes, this study shows a promising pathway to improving flame stability and combustion efficiency, as well as reducing emissions.

adaptive mesh refinement↗
DOE OSTI2023

Simulations of Fuel-Air Mixing in a 7 Element Lean Direct Injection (LDI) Aviation Combustor

The increased accessibility of commercial aviation to the general population has in-creased the conventional jet fuel consumption, thereby causing increased CO2 emissions. One of the strategies to reduce the environmental impact is to use sustainable aviation fuels (SAFs). SAFs are jet fuels obtained from renewable resources such as biomass and waste streams such as plastics/municipal solid wastes. Even though the use of SAFs has been gaining importance over the last two decades, only a few numerical studies on their usage have been reported so far. In this study, two SAFs namely, Alcohol to Jet (ATJ) and Hydrotreated Esters and Fatty Acids (HEFA), are chosen and their use in a simple, Lead Direct Injection (LDI) combustor is studied. The focus of this study is limited to the thermo-chemical properties of the fuels and their impact on fuel distribution and evaporation. Hence, only non-reactive simulations are performed. A high accuracy, adaptive mesh refinement based low-Mach solver, PeleLMeX, is used for performing the simulations. The time-averaged flow results indicate faster evaporation of HEFA when compared to ATJ and Jet-A. The difference in fuel evaporation rates is attributed to the differences in fuel viscosity and surface tension properties and the concomitant variations in the fuel droplet size distributions.

adaptive mesh refinement↗
DOE OSTI2023

Simulations of Fuel-Air Mixing in a 7 Element Lean Direct Injection (LDI) Aviation Combustor: Preprint

The increased accessibility of commercial aviation to the general population has in-creased the conventional jet fuel consumption, thereby causing increased CO2emissions. One of the strategies to reduce the environmental impact is to use sustainable aviation fuels (SAFs). SAFs are jet fuels obtained from renewable resources such as biomass and waste streams such as plastics/municipal solid wastes. Even though the use of SAFs has been gaining importance over the last two decades, only a few numerical studies on their usage have been reported so far. In this study, two SAFs namely, alcohol to jet (ATJ) and hydrotreated esters and fatty acids (HEFA), are chosen and their use in a simple, lead direct injection (LDI) combustor is studied. The focus of this study is limited to the thermo-chemical properties of the fuels and their impact on fuel distribution and evaporation. Hence, only non-reactive simulations are performed. A high accuracy, adaptive mesh refinement based low-Mach solver, PeleLMeX, is used for performing the simulations. The time-averaged flow results indicate faster evaporation of HEFA when compared to ATJ and Jet-A. The difference in fuel evaporation rates is attributed to the differences in fuel viscosity and surface tension properties and the concomitant variations in the fuel droplet size distributions.

adaptive mesh refinement↗
DOE OSTI2024

Design and Engineering of LUPIN: A Test-Bed Radiofrequency Ion Source for Enhanced Neutral Beam Injection on DIII-D

The Large, Uniform Plasma for Ionizing Neutrals (LUPIN) is an RF inductively coupled plasma (ICP) chamber for demonstrating plasma performance of an RF ICP positive ion source upgrade for the DIII-D Neutral Beam Injection (NBI) system. LUPIN will be used to investigate ion source physics, including neutral gas dynamics, plasma density uniformity, interactions with Faraday shields, and power coupling to novel RF antenna designs. LUPIN has an RF generator capable of delivering 20 kW of power at 2 MHz, which is coupled into a cylindrical quartz vessel measuring 20 cm in length and 10 cm in radius. This configuration matches the power density requirements for a full-scale ion source. Target hydrogen and deuterium plasma densities exceeding 10 18 m -3 would relate to extracted ion current densities of 2100 A/m 2 for 10 s. Vacuum conductance and gas flow calculations predict a maximum achievable neutral gas flow rate of 1675 Pa·L/s at 5 Pa of He, which mimics the gas flow of the DIII-D NBI system. Designs have been developed for an internal Faraday shield to mitigate heat flux and ion sputtering on the dielectric vessel. Thermomechanical finite element simulations demonstrated the Faraday shield design to be capable of withstanding anticipated heat loads from worst-case operation scenarios. Results of upcoming experimental investigations on LUPIN will guide the design of a full-scale prototype for DIII-D integration.

Faraday shield↗
DOE OSTI2024

In‐mold rheology and automated process control for injection molding of recycled polypropylene

Abstract Manufacturing plastic parts with secondary feedstocks has risen to the forefront of importance in recent years. However, the variation in molecular weight and rheology of secondary feedstock can lead to inconsistent part quality. This work evaluates the effectiveness of a novel closed‐loop adaptive process control system that adjusts nozzle pressure in response to in‐mold pressure data. Five different recycled polypropylene blends, with a broad distribution of flow properties, were evaluated to determine the effectiveness of the control system at reducing processing variation. The experimental results show that the process control strategy reduced the variation within the mold, as seen by in‐mold pressure curves and calculated in‐mold viscosity values. Additionally, the parameters that control the automated process adjustments were investigated, showing the importance of optimization. The analysis of the correlation between in‐mold rheology and mechanical properties showed a slight variation in the mechanical properties and parts weight with a coefficient of variation of under 5%. Overall, the results demonstrate the ability of pressure‐controlled molding and automated viscosity adjustment to reduce the variability when molding a secondary feedstock. Highlights Pressure‐controlled injection molding of recycled polypropylene. Automated closed‐loop adaptive process control methodology. Methodology resulted in a reduction in pressure variation during molding. Changes in mechanical properties and in‐mold viscosity were investigated. Results show the potential of pressure‐controlled molding at reducing variation.

Krantz, Joshua↗
DOE OSTI2021

Mass flow rate effect on a rotating detonation combustor with an axial air injection

Changing the flow rate of reactants being injected into a rotating detonation combustor (RDC) results in interesting behavior of the system. Prior studies have found that an increase in mass flow rate gradually increases the detonation wave speed before splitting the wave into multiple fronts. Here, the focus of this study is in understanding the physics of such behavior through a combination of experiments and numerical simulations. For this purpose, the axial air inlet-based RDC geometry is used. In the experiments, the wave velocity increased similar to prior studies. Corresponding full-scale simulations show that increase in mass flow rate by increasing pressure of the feed plenums shortens the recovery time of the injectors. This causes a more uniform fuel–air mixture to form prior to the arrival of the detonation wave. As a result, a more ideal detonation is observed, which leads to an increased wave velocity. Details of the detonation structure and variation with mass flow rate are analyzed. The presence and variation of the different deflagration zones in such non-premixed RDCs are also discussed.

42 ENGINEERING↗
DOE OSTI2020

3D Modelling of the Lithium Injection Experiment in H-Mode Plasma of EAST

Investigations of lithium transport in H-mode plasma of EAST tokamak have been performed by the three-dimensional fluid code EMC3-EIRENE. The simulation results show that the toroidally-localized lithium injection at the low field side (LFS) leads to a toroidally non-axisymmetric distribution of the Li 1+ and Li 2+ ions. The field line tracing approach is utilized to carry out a detailed study on the distributions of the Li 1+ and Li 2+ ions. It is found that Li 1+ ions mainly reside at the LFS while Li 2+ ions can transport from LFS to the high field side. The relationship between mean free path and connection length for Li 1+ and Li 2+ ions has been discussed. Here, the 3D line-integration images of deuterium and lithium emission spectra modelled by EMC3-EIRENE are in qualitative consistency with the experiment results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Frictionless knowledge injection for few-shot learning

Cutting-edge machine learning methods often require large volumes of curated training data, precluding their use in national security problems with rare events in massive datasets. We present a method for incorporating abstract knowledge into models tailored for sparse data. A subject matter expert defines salient concepts using data examples, which are encoded in the model’s embedding space. Models are then trained to respect these concepts. This method enables knowledge injection, yielding effective models with limited labeled data and the ability to assess model sensitivity for subject matter expertise across the nonproliferation mission space, as demonstrated with Raman spectra analysis.

Stomps, Jordan [ORNL] (ORCID:0000000178114479)↗
DOE OSTI2022

Amplitude-mode spectroscopy of chemically injected and photogenerated charge carriers in semiconducting single-walled carbon nanotubes

In one-dimensional semiconductors such as conjugated polymers and semiconducting single-walled carbon nanotubes (s-SWCNTs), injected charge carriers (electrons or holes) can have profound impacts on both electronic conductivity and optical spectra, even at low carrier densities. Understanding charge-related spectral features is a key fundamental challenge with important technological implications. Here, we employ a systematic suite of experimental and theoretical tools to understand the mid-infrared charge signatures of heavily p-type doped polymer-wrapped s-SWCNTs. Across a broad range of nanotube diameters, we find that hole charge carriers induce strong Fano anti-resonances in mid-infrared transmission spectra that correspond to defect-related (D-band) and in-plane tangential (G-band) Raman-active vibrational modes, along with anti-resonances arising from infrared (IR)-active polymer and SWCNT modes. We employ 13C isotope-labeled s-SWCNTs and a removable wrapping polymer to clarify the relative intensities, energies, and sources of all observed anti-resonances. Simulations performed with the "amplitude mode model" are used to quantitatively reproduce Raman spectra and also help to explain the outsized intensity of the D-band anti-resonance, relative to the G-band, observed for both moderately and degenerately doped s-SWCNTs. Here, the results provide a framework for future studies of ground- and excited-state charge carriers in s-SWCNTs and a variety of low-dimensional materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Predicting transport of intra-articularly injected growth factor fusion proteins into human knee joint cartilage

There are no drugs or treatment methods known to prevent the development of post-traumatic osteoarthritis (PTOA), a type of osteoarthritis (OA) that is triggered by traumatic joint injuries and accounts for ~12% of the nearly 600 million OA cases worldwide. Lack of effective drug delivery techniques remains a major challenge in developing clinically effective treatments, but cationic delivery carriers can help overcome this challenge. Scaling up treatments that are effective in in vitro models to achieve success in preclinical in vivo models and clinical trials is also a challenging problem in the field. Here we use a cationic green fluorescent protein (GFP) as a carrier to deliver Insulin-Like Growth Factor 1 (IGF-1), a drug considered as a potential therapeutic for PTOA. GFP-IGF-1 conjugates were first synthesized as fusion proteins with different polypeptide linkers, and their transport properties were characterized in human cartilage explants. In vitro experimental data were used to develop a predictive mathematical transport model that was validated using an independent in vitro experimental data set. In this study, the model was used to predict the transport of these fusion proteins upon intra-articular injection into human knee joints. The predictions included results for the rate and extent of fusion protein penetration into cartilage, and the maximum levels of fusion proteins that would escape into systemic circulation through the joint capsule. Together, our transport measurements and model set the stage for translation of such explant culture studies to in vivo preclinical studies and potentially clinical application.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Geomechanical response due to nonisothermal fluid injection into a reservoir

The geomechanical response of a porous reservoir due to injection of fluid can result from a complex interplay between the changes in porepressure and temperature near the wellbore. As a result, predictions are usually made using either simplified analytical models, which may apply unrealistic assumptions in order to produce a tractable model, or detailed numerical simulations that can be computationally expensive.

58 GEOSCIENCES↗
DOE OSTI2020

Co-optimizing water-alternating-carbon dioxide injection projects using a machine learning assisted computational framework

In this report, a robust machine-learning-based computational framework that couples multi-layer neural network (MLNN) proxies and a multi-objective particle swarm optimizer (MOPSO) to design water-alternating-carbon dioxide injection (CO 2 -WAG) projects is presented. The proposed optimization protocol considers various objectives, including oil recovery and CO 2 storage volume. Expert MLNN systems are trained and employed as surrogate models of the high-fidelity compositional simulator in the optimization workflow. When multiple objective functions are considered, two approaches are employed to treat the objectives: the weighted sum method and the Pareto-front-based scheme. A field-scale implementation focusing on tertiary recovery in the Morrow B formation at Farnsworth Unit (FWU) is presented. The developed Pareto-optimal solutions indicate the maximal available oil production can be 1.64 × 10 7 barrels and maximal carbon storage can achieve 2.35 × 10 7 tons. Trade-offs factor is defined to divide the constructed Pareto front into 4 sections with the trade-off factors’ value ranges from 0.35 to 49.9. This work also compares the optimum solution found by the aggregative objective function and the solution repository covered by the Pareto front that considers the physical and operational constraints and reduces uncertainties involved by the multi-objective optimization process. Our comparison indicates multiple solutions exist to satisfy the objective criteria of the WAG design, and these results cannot be found using the traditional weighted sum method. The Pareto front solution can provide more options for project designers, but decisions regarding necessary trade-offs must be made using the solution repository to balance the project economics and CO 2 storage amount.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Substitution of virgin carbon fiber with low-cost recycled fiber in automotive grade injection molding polyamide 66 for equivalent composite mechanical performance with improved sustainability

Recycled carbon fiber has historically proven challenging to integrate into composite manufacturing due in no small part to the low-density, randomly oriented, discontinuous fiber format that results from typical recycling. Discontinuous fiber requires the use of alternative technologies than those traditionally applied to continuous fiber (e.g., hand lay-up, winding). Extrusion compounding is one such applicable technology, but material transfer into the system requires alternative feeding equipment or the use of an altered procedure as trialed in this research. In this study, an injection molding compound for automotive applications was prepared with recycled carbon fiber and compared against an existing commercial compound. Input fibers and molded compound were evaluated for mechanical performance, while relevant variables such as compounded fiber alignment and aspect ratio were compared to the existing baseline material to confirm a like-for-like composite material structure. Overall, analysis indicates that recycled fiber performs similarly to virgin fiber reinforcement, demonstrating that recycled fiber may be a viable drop-in replacement for short-fiber discontinuous applications.

42 ENGINEERING↗
DOE OSTI2020

Identification of engine oil-derived ash nanoparticles and ash formation process for a gasoline direct-injection engine

Engine oil-derived ash particles emitted from internal combustion (IC) engines are unwanted by-products, after oil is involved in in-cylinder combustion process. Since they typically come out together with particulate emissions, no detail has been reported about their early-stage particles other than agglomerated particles loaded on aftertreatment catalysts and filters. To better understand ash formation process during the combustion process, here differently formulated engine oils were dosed into a fuel system of a gasoline direct injection (GDI) engine that produces low soot mass emissions at normal operating conditions to increase the chances to find stand-alone ash particles separated from soot aggregates in the sub-20-nm size range. In addition to them, ash/soot aggregates in the larger size range were examined using scanning transmission electron microscopy (STEM)-X-ray electron dispersive spectroscopy (XEDS) to present elemental information at different sizes of particles from various oil formulations. The STEM-XEDS results showed that regardless of formulated oil type and particle size, Ca, P and C were always contained, while Zn was occasionally found on relatively large particles, suggesting that these elements get together from an early stage of particle formation. The S, Ca and P K-edge X-ray absorption near edge structure (XANES) analyses were performed for bulk soot containing raw ash. The linear combination approach & cross-checking among XANES results proposed that Ca 5 (OH)(PO 4 ) 2 , Ca 3 (PO 4 ) 2 and Zn 3 (PO 4 ) 2 are potentially major chemical compounds in raw ash particles, when combined with the STEM-XEDS results. Despite many reports that CaSO 4 is a major ash chemical when ash found in DPF/GFP systems was examined, it was observed to be rarely present in raw ashes using the S K-edge XANES analysis, suggesting ash transformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ducted fuel injection with Low-Net-Carbon fuels as a solution for meeting future emissions regulations

Several studies have proven how ducted fuel injection (DFI) reduces soot emissions for compression-ignition engines. Nevertheless, no comprehensive study has investigated how DFI performs over a load range in combination with low-net-carbon fuels. In this study, optical-engine experiments were performed with four different fuels—conventional diesel and three low-net-carbon fuels—at low and moderate load, to measure emissions levels and performance. The 1.7-liter single-cylinder optical engine was equipped with a high-speed camera to capture natural luminosity images of the combustion event. Conventional diesel and DFI combustion were investigated at four different dilution levels (to simulate exhaust-gas recirculation effects), from 14 to 21 mol% oxygen in the intake. At a given dilution level, with commercial diesel fuel, DFI reduced soot by 82% at medium load, and 75% at low load without increasing NO x . The results further show how DFI with dilution reduces soot and NO x without compromising engine performance or other emission types, especially when combined with low-net-carbon fuels. DFI with the oxygenated low-net-carbon blend HEA67 simultaneously reduced soot and NO x by as much as 93 % and 82 %, respectively, relative to conventional diesel combustion with commercial diesel fuel. These soot and NO x reductions occurred while lifecycle CO 2 was reduced by at least 70 % when using low-net-carbon fuels instead of conventional diesel. All emissions changes were compared with future emissions regulations for different vehicle sectors to investigate how DFI can be used to facilitate achievement of the regulations. Finally, the results show how the DFI cases fall below several future emissions regulation levels, rendering less need for aftertreatment systems and giving a possible lower cost of ownership.

33 ADVANCED PROPULSION SYSTEMS↗