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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Coupling a Lagrangian–Eulerian Spark-Ignition (LESI) model with LES combustion models for engine simulations

In the United States transportation sector, Light-Duty Vehicles (LDVs) are the largest energy consumers and CO 2 emitters. Electrification of LDVs is posed as a potential solution, but SI engines can still contribute to decarbonization. Car manufacturers have turned to unconventional engine operation to increase the efficiency of Spark-Ignition (SI) engines and reduce the carbon emissions of their fleets. Dilute, lean, and stratified-charge engine operation has the potential for engine efficiency improvements at the expense of increased cyclic variability and combustion instability. At such demanding engine conditions, the spark ignition event is key for flame initiation and propagation and for enhanced combustion stability. Reliable and accurate spark ignition models can help design ignition systems that reduce cyclic variability. Multiple computational spark-ignition models exist that perform well under conventional conditions, but the underlying physics needs to be expanded, for unconventional engine operation. In this paper, a hybrid Lagrangian–Eulerian Spark-Ignition (LESI) model is coupled with different turbulent flame propagation models for engine simulations. LESI relies on Lagrangian arc tracking and Eulerian energy deposition. The LESI model is coupled with the Well-Stirred Reactor (WSR), Thickened Flame Model (TFM), and g-equation model and used to simulate several cycles of a Direct-Injection Spark-Ignition (DISI) engine using a commercial Computational Fluid Dynamics (CFD) engine solver. The results showcase the successful coupling of LESI with the combustion models. Global engine metrics, such as pressure and Apparent Heat Release Rate (AHRR), for each simulation setup are compared to experimental engine results, for validation. In addition, results highlight the successful prediction of spark channel movement by comparing simulation images to experimental optical engine images. Finally, the successful coupling of LESI to combustion models, making it a usable model in the engine modeling community, is emphasized and future development details are discussed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. In conclusion, this work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen’s energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Investigating the Origins of Cyclic Variability in Internal Combustion Engines Using Wall-Resolved Large Eddy Simulations

Modern internal combustion engines (ICE) operate at the ragged edge of stable operation characterized by high cycle-to-cycle variations (CCV). A key scientific challenge for ICE is the understanding, modeling, and control of CCV in engine performance, which can contribute to partial burns, misfire, and knock. The objective of this study is to use high-fidelity numerical simulations to improve the understanding of the causes of CCV. Nek5000, a leading high-order spectral element, open source code, is used to simulate the turbulent flow in the engine combustion chamber. Multicycle, wall-resolved large-eddy simulations (LESs) are performed for the General Motors (GM), Transparent Combustion Chamber (TCC-III) optical engine under motored operating conditions. The mean and root-mean-square (rms) of the in-cylinder flow fields at various piston positions are validated using particle image velocimetry (PIV) measurements during the intake and compression strokes. The large-scale flow structures, including the swirl and tumble flow patterns, are analyzed in detail and the causes for cyclic variabilities in these flow features are explained. The energy distribution across the different scales of the flow are quantified using one-dimensional (1D) energy spectra, and the effect of the tumble breakdown process on the energy distribution is examined. Finally, the insights from this study can help us develop improved engine designs with reduced cyclic variabilities in the in-cylinder flow leading to enhanced engine performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Ducted Fuel Injection Provides Consistently Lower Soot Emissions in Sweep to Full-Load Conditions

Earlier studies have proven how ducted fuel injection (DFI) substantially reduces soot for low- and mid-load conditions in heavy-duty engines, without significant adverse effects on other emissions. Nevertheless, no comprehensive DFI study exists showing soot reductions at high- and full-load conditions. This study investigated DFI in a single-cylinder, 1.7-L, optical engine from low- to full-load conditions with a low-net-carbon fuel consisting of 80% renewable diesel and 20% biodiesel. Over the tested load range, DFI reduced engine-out soot by 38.1–63.1% compared to conventional diesel combustion (CDC). This soot reduction occurred without significant detrimental effects on other emission types. Thus, DFI reduced the severity of the soot–NO x tradeoff at all tested conditions. While DFI delivered considerable soot reductions in thepresent study, previous DFI studies at low- and mid-load conditions delivered larger soot reductions (>90%) compared to CDC operation at the same conditions. Therefore, the DFI configuration used here has been deemed nonoptimal (in terms of parameters such as the injector-spray and piston geometries), and several improvements are recommended for future studies with high-load DFI. Further, these improvements include employing better spray-duct alignment, a deeper piston bowl with a smaller injector umbrella angle, and a fuel injector that opens and closes faster. The study also suggests future research to make DFI ready for commercialization, such as metal-engine tests to ensure desirable DFI performance over an engine’s complete speed/load map. Overall, this study supports the continued development and commercialization of DFI to meet upcoming emissions regulations for heavy-duty vehicles. Specifically, multicylinder engine experiments and CFD simulations should be utilized to optimize the performance and clarify the full potential of DFI.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Deterministic fabrication of highly reproducible monochromatic quantum emitters in hexagonal boron nitride

Quantum emitters in hexagonal boron nitride are important room temperature single-photon sources. However, conventional fabrication methods yield quantum emitters with dispersed and inconsistent spectral profiles, limiting their potential for practical quantum applications, which demand reproducible high quality single-photon sources. Here, we report the deterministic creation of highly reproducible monochromatic quantum emitters by applying carbon-ion implantation on freestanding hexagonal boron nitride flakes, while a carbon mask with suitable thickness was adapted to optimize the implantation results. Quantum emitters fabricated using this approach exhibited thermally limited monochromaticity, with an emission center wavelength of 590.7 ± 2.7 nm, a narrow full width at half maximum of 7.1 ± 1.7 nm, an emission rate of 1 MHz without optical engineering, and exceptional stability under ambient conditions. Density functional theory calculations and scanning transmission electron microscopy suggest that these emitters are comprised of boron centered carbon tetramers. This method provides a reliable single-photon source for optical quantum computing and potential future industry-scale applications.

Hua, Muchuan [Argonne National Laboratory (ANL), A↗
DOE OSTI2020

Dynamical Control of Broadband Coherent Absorption in ENZ Films

Interferometric effects between two counter-propagating beams incident on an optical system can lead to a coherent modulation of the absorption of the total electromagnetic radiation with 100% efficiency even in deeply subwavelength structures. Coherent perfect absorption (CPA) rises from a resonant solution of the scattering matrix and often requires engineered optical properties. For instance, thin film CPA benefits from complex nanostructures with suitable resonance, albeit at a loss of operational bandwidth. In this work, we theoretically and experimentally demonstrate a broadband CPA based on light-with-light modulation in epsilon-near-zero (ENZ) subwavelength films. We show that unpatterned ENZ films with different thicknesses exhibit broadband CPA with a near-unity maximum value located at the ENZ wavelength. By using Kerr optical nonlinearities, we dynamically tune the visibility and peak wavelength of the total energy modulation. Our results based on homogeneous thick ENZ media open a route towards on-chip devices that require efficient light absorption and dynamical tunability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Optical transient grating pumped X-ray diffraction microscopy for studying mesoscale structural dynamics

Abstract A fundamental understanding of materials’ structural dynamics, with fine spatial and temporal control, underpins future developments in electronic and quantum materials. Here, we introduce an optical transient grating pump and focused X-ray diffraction probe technique (TGXD) to examine the structural evolution of materials excited by modulated light with a precisely controlled spatial profile. This method adds spatial resolution and direct structural sensitivity to the established utility of a sinusoidal transient-grating excitation. We demonstrate TGXD using two thin-film samples: epitaxial BiFeO 3 , which exhibits a photoinduced strain (structural grating) with an amplitude proportional to the optical fluence, and FeRh, which undergoes a magnetostructural phase transformation. In BiFeO 3 , structural relaxation is location independent, and the strain persists on the order of microseconds, consistent with the optical excitation of long-lived charge carriers. The strain profile of the structural grating in FeRh, in comparison, deviates from the sinusoidal excitation and exhibits both higher-order spatial frequencies and a location-dependent relaxation. The focused X-ray probe provides spatial resolution within the engineered optical excitation profile, resolving the spatiotemporal flow of heat through FeRh locally heated above the phase transition temperature. TGXD successfully characterizes mesoscopic energy transport in functional materials without relying on a specific transport model.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigation of Cycle-to-Cycle Variations in Internal Combustion Engine Using Proper Orthogonal Decomposition

The understanding, modeling and control of the cycle-to-cycle variation (CCV) in the modern internal combustion engine (ICE) is a key scientific challenge to achieve stable engine operation. High CCV in the engine combustion chamber may contribute to partial burn, misfire and knock, which adversely affects the engine performance and may potentially damage the engine. The objective of the current study is to leverage high-fidelity numerical simulations to improve the understanding of the causes of CCV. Using the massively parallel code, Nek5000, multi-cycle, wall-resolved large-eddy simulations (LES) were performed for the General Motors (GM), Transparent Combustion Chamber (TCC-III) optical engine under motored operating conditions. Further, the large-scale structures of the in-cylinder flow were investigated using a triple proper orthogonal decomposition (POD) technique to explore the characteristics of different parts of the flow and their contributions to CCV. The kinetic energy of the subset of flow structures were determined and correlated between the intake and compression strokes. The insights from the analysis of the large-scale flow structures will be used to assist the development of improved engine designs with reduced CCV and enhance the engine performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Multivalent optical cycling centers: towards control of polyatomics with multi-electron degrees of freedom

Optical control of polyatomic molecules promises new opportunities in precision metrology and fundamental chemistry, as well as quantum information and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling photons via excitation of a single electron localized to an alkaline earth (group 2)-like metal center. In this paper, we consider pathways towards optical cycling in polyatomic molecules with multi-electron degrees of freedom, which arise from two or more cycling electrons localized to p-block post-transition metal and metalloid (group 13, 14, and 15) centers. Here, we characterize the electronic structure and rovibrational branching of several prototypical candidates using ab initio quantum chemical methods. Despite increased internal complexity and challenging design parameters, we find several molecules possessing quasi-closed photon cycling schemes with highly diagonal, visible and near-infrared transitions. Furthermore, we identify new heuristics for engineering optically controllable and laser-coolable polyatomic molecules with multi-electron cycling centers. Our results help elucidate the interplay between hybridization, repulsion, and ionicity in optically active species and provide new directions for using polyatomic molecules with complex electronic structure as a resource for quantum science and measurement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Verification of diesel spray ignition phenomenon in dual-fuel diesel-piloted premixed natural gas engine

Dual-fuel (DF) engines, in which premixed natural gas and air in an open-type combustion chamber is ignited by diesel-fuel pilot sprays, have been more popular for marine use than pre-chamber spark ignition (PCSI) engines because of their superior durability. However, control of ignition and combustion in DF engines is more difficult than in PCSI engines. In this context, here we focus on the ignition stability of n-heptane pilot-fuel jets injected into a compressed premixed charge of natural gas and air at low-load conditions. To aid understanding of the experimental data, chemical-kinetics simulations were carried out in a simplified engine-environment that provided insight into the chemical effects of methane (CH4) on pilot-fuel ignition. The simulations reveal that CH4 has an effect on both stages of n-heptane autoignition: the small, first-stage, cool-flame-type, low-temperature ignition (LTI) and the larger, second-stage, high-temperature ignition (HTI). As the ratio of pilot-fuel to CH4 entrained into the spray decreases, the initial oxidization of CH4 consumes the OH radicals produced by pilot-fuel decomposition during LTI, thereby inhibiting its progression to HTI. Using imaging diagnostics, the spatial and temporal progression of LTI and HTI in DF combustion are measured in a heavy-duty optical engine, and the imaging data are analyzed to understand the cause of severe fluctuations in ignition timing and combustion completeness at low-load conditions. Images of cool-flame and hydroxyl radical (OH*) chemiluminescence serve as indicators of LTI and HTI, respectively. The cycle-to-cycle and spatial variation in ignition extracted from the imaging data are used as key metrics of comparison. The imaging data indicate that the local concentration of the pilot-fuel and the richness of the surrounding natural-gas air mixture are important for LTI and HTI, but in different ways. In particular, higher injection pressures and shorter injection durations increase the mixing rate, leading to lower concentrations of pilot-fuel more quickly, which can inhibit HTI even as LTI remains relatively robust. Decreasing the injection pressure from 80 MPa to 40 MPa and increasing the injection duration from 500 µs to 760 µs maintained constant pilot-fuel mass, while promoting robust transition from LTI to HTI by effectively slowing the mixing rate. This allows enough residence time for the OH radicals, produced by the two-stage ignition chemistry of the pilot-fuel, to accelerate the transition from LTI to HTI before being consumed by CH4 oxidation. Thus from a practical perspective, for a premixed natural gas fuel–air equivalence-ratio, it is possible to improve the “stability” of the combustion process by solely manipulating the pilot-fuel injection parameters while maintaining constant mass of injected pilot-fuel. This allows for tailoring mixing trajectories to offset changes in fuel ignition chemistry, so as to promote a robust transition from LTI to HTI by changing the balance between the local concentration of the pilot-fuel and richness of the premixed natural gas and air. This could prove to be a valuable tool for combustion design to improve fuel efficiency or reduce noise or perhaps even reduce heat-transfer losses by locating early combustion away from in-cylinder walls.

42 ENGINEERING↗
DOE OSTI2021

Control of monodomain polymer-stabilized cuboidal nanocrystals of chiral nematics by confinement.

Liquid crystals are important components of optical technologies. Cuboidal crystals consisting of chiral liquid crystals-the so-called blue phases (BPs), are of particular interest due to their crystalline structures and fast response times, but it is critical that control be gained over their phase behavior as well as the underlying dislocations and grain boundaries that arise in such systems. Blue phases exhibit cubic crystalline symmetries with lattice parameters in the 100 nm range and a network of disclination lines that can be polymerized to widen the range of temperatures over which they occur. Here, we introduce the concept of strain-controlled polymerization of BPs under confinement, which enables formation of strain-correlated stabilized morphologies that, under some circumstances, can adopt perfect single-crystal monodomain structures and undergo reversible crystal-to-crystal transformations, even if their disclination lines are polymerized. We have used super-resolution laser confocal microscopy to reveal the periodic structure and the lattice planes of the strain and polymerization stabilized BPs in 3D real space. Our experimental observations are supported and interpreted by relying on theory and computational simulations in terms of a free energy functional for a tensorial order parameter. Simulations are used to determine the orientation of the lattice planes unambiguously. The findings presented here offer opportunities for engineering optical devices based on single-crystal, polymer-stabilized BPs whose inherent liquid nature, fast dynamics, and long-range crystalline order can be fully exploited.

confinement↗
DOE OSTI2024

Combinatorial split-ring and spiral metaresonator for efficient magnon-photon coupling

Developing hybrid materials and structures for electromagnetic wave engineering has been a promising route towards novel functionalities and tunabilities in many modern applications. Despite its established success in engineering optical light and terahertz waves, the implementation of metaresonators operating in the microwave band is still emerging, especially the implementation of metaresonators that allow on-chip integration and size miniaturization, which is crucial for developing hybrid quantum systems in the microwave band. In this work, we present a microwave metaresonator consisting of split-ring and spiral resonators, and implement it for the investigation of photon-magnon coupling for hybrid magnonic applications. We observe broadened bandwidth of the split-ring modes augmented by the additional spiral resonator, and, by coupling the modes to a magnetic sample, the resultant photon-magnon coupling can be significantly enhanced by more than tenfold. Furthermore, our work suggests that combinatorial, hybrid microwave resonators may be a promising approach towards future development and implementation of photon-magnon coupling in hybrid magnonic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Special Section Guest Editorial: Active Spectroscopy

A special edition of the journal Optical Engineering invited several scientists to participate in the editorial board of this special issue. The eleven papers in this special section cover recent developments in active spectroscopy, including new phenomenology and applications, advances in systems and components, and new methods for data processing and exploitation.

42 ENGINEERING↗
DOE OSTI2025

On-target uniformity of the OMEGA 60-beam inertial confinement fusion laser

Successful direct-drive inertial confinement fusion (ICF) experiments require excellent on-target laser 9 irradiance uniformity maintained over the duration of the pulse. Achieving this symmetry relies on maintaining an 10 energy, power, and fluence balance among all beams in a multibeam laser system. As a result of the improvements 11 described in this paper, the OMEGA 60-beam laser performance has been assessed at approximately 2% on-target 12 irradiance nonuniformity using an updated performance assessment metric that accounts for the laser diagnostic noise 13 floor. The performance is measurement-limited, prompting the need for an improved diagnostic suite. This manuscript 14 provides a comprehensive first-order assessment of extant status of on-target energy, power, and fluence uniformity 15 and explores avenues for improvements.

Diagnostics↗
DOE OSTI2022

Interfacing DNA nanotechnology and biomimetic photonic complexes: advances and prospects in energy and biomedicine

Abstract Self-assembled photonic systems with well-organized spatial arrangement and engineered optical properties can be used as efficient energy materials and as effective biomedical agents. The lessons learned from natural light-harvesting antennas have inspired the design and synthesis of a series of biomimetic photonic complexes, including those containing strongly coupled dye aggregates with dense molecular packing and unique spectroscopic features. These photoactive components provide excellent features that could be coupled to multiple applications including light-harvesting, energy transfer, biosensing, bioimaging, and cancer therapy. Meanwhile, nanoscale DNA assemblies have been employed as programmable and addressable templates to guide the formation of DNA-directed multi-pigment complexes, which can be used to enhance the complexity and precision of artificial photonic systems and show the potential for energy and biomedical applications. This review focuses on the interface of DNA nanotechnology and biomimetic photonic systems. We summarized the recent progress in the design, synthesis, and applications of bioinspired photonic systems, highlighted the advantages of the utilization of DNA nanostructures, and discussed the challenges and opportunities they provide. Graphical Abstract

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

SCHOTT laser glass [Invited]

Laser glass is a highly engineered optical material that enables the amplification of light in laser systems. It is known for being the heart of the largest laser facilities ever built, where thousands of neodymium-doped meter-sized slabs of laser glass create intense beams of near-infrared laser radiation used to study fusion reactions. Or if doped with ytterbium and erbium, laser glass can be made into millimeter-sized components empowering range-finders and dermatological lasers. Decades of development have poised laser glass for the next challenge on the horizon: amplifying light for sustainable inertial fusion energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Refinement and Modeling of a Blackbody-Based Calibration Method in the InfraBREAD Detector

The Broadband Reflector Experiment for Axion Detection (BREAD) is an ongoing experiment searching for the conversion of yet undiscovered axion-like dark matter particles to photons in the presence of a magnetic field. InfraBREAD, a sub-experiment of BREAD, uses a superconducting nanowire single photon detector (SNSPD), a high-efficiency and low-noise device, to specifically detect infrared-range photons produced by $\mathcal{O}$(eV) axion-like particles. The unique BREAD reflector setup allows for the focusing of all converted signal photons to a 1mm $\times$ 1mm SNSPD. However, when the detector is cooled to cryogenic temperatures during operation, uneven thermal contraction of reflector components may lead to a small shift in the location of the focal spot. A novel calibration method using blackbody radiation is proposed to locate the true focal spot of the detector \textit{in situ}. Through ray tracing simulations done in FRED Optical Engineering Software, this method is demonstrated to locate the focus to within 50 $\mu$m in three dimensions.

Rao, Shardul↗