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At least 1,207 records · Page 67

Octane Modeling of Isobutanol Blending into Gasoline

Thirty-four gasoline blendstocks for oxygenate blending were used to create finished gasoline blends with isobutanol content of 12.5 volume percent (vol. %) and 16 vol. %. The gasoline blendstocks and finished fuels were analyzed for octane number (research [RON] and motor [MON]) to determine the effect of blending isobutanol. Volumetric and molar linear blending models were developed to predict finished fuel RON and MON, starting from the properties and composition of the gasoline blendstocks and isobutanol. Results show the molar blending model provided a better fit for the experimental data than the volumetric blending model. The volumetric model was further improved by adding nonlinear terms, improving the error to within ~1 ON. Gasoline blendstock properties impacted the finished fuel RON/MON, with paraffins having a synergistic effect with isobutanol and olefins and aromatics having an antagonistic effect.

10 SYNTHETIC FUELS↗

Emerging materials intelligence ecosystems propelled by machine learning

We report that the age of cognitive computing and artificial intelligence (AI) is just dawning. Inspired by its successes and promises, several AI ecosystems are blossoming, many of them within the domain of materials science and engineering. These materials intelligence ecosystems are being shaped by several independent developments. Machine learning (ML) algorithms and extant materials data are utilized to create surrogate models of materials properties and performance predictions. Materials data repositories, which fuel such surrogate model development, are mushrooming. Automated data and knowledge capture from the literature (to populate data repositories) using natural language processing approaches is being explored. The design of materials that meet target property requirements and of synthesis steps to create target materials appear to be within reach, either by closed-loop active-learning strategies or by inverting the prediction pipeline using advanced generative algorithms. AI and ML concepts are also transforming the computational and physical laboratory infrastructural landscapes used to create materials data in the first place. Surrogate models that can outstrip physics-based simulations (on which they are trained) by several orders of magnitude in speed while preserving accuracy are being actively developed. Automation, autonomy and guided high-throughput techniques are imparting enormous efficiencies and eliminating redundancies in materials synthesis and characterization. The integration of the various parts of the burgeoning ML landscape may lead to materials-savvy digital assistants and to a human-machine partnership that could enable dramatic efficiencies, accelerated discoveries and increased productivity. Here, we review these emergent materials intelligence ecosystems and discuss the imminent challenges and opportunities. The materials research landscape is being transformed by the infusion of approaches based on machine learning. This Review discusses the emerging materials intelligence ecosystems and the potential of human-machine partnerships for fast and efficient virtual materials screening, development and discovery.

36 MATERIALS SCIENCE↗

Phosphoric Acid Fuel Cell Technology Status

A review of the current phosphoric acid fuel cell system technology development efforts is presented both for multimegawatt systems for electric utility applications and for multikilowatt systems for on-site integrated energy system applications. Improving fuel cell performance, reducing cost, and increasing durability are the technology drivers at this time. Electrodes, matrices, intercell cooling, bipolar/separator plates, electrolyte management, and fuel selection are discussed.

Simons, S. N.↗

Review of alternative fuels data bases

Based on an analysis of the interaction of fuel physical and chemical properties with combustion characteristics and indicators, a ranking of the importance of various fuel properties with respect to the combustion process was established. This ranking was used to define a suite of specific experiments whose objective is the development of an alternative fuels design data base. Combustion characteristics and indicators examined include droplet and spray formation, droplet vaporization and burning, ignition and flame stabilization, flame temperature, laminar flame speed, combustion completion, soot emissions, NOx and SOx emissions, and the fuels' thermal and oxidative stability and fouling and corrosion characteristics. Key fuel property data is found to include composition, thermochemical data, chemical kinetic rate information, and certain physical properties.

Harsha, P. T.↗

Advanced Engine and Fuel Technologies FY2020 Annual Progress Report

In support of the Vehicle Technology Office’s goal for future U.S. economic growth, the Advanced Engine and Fuel Technologies Program focuses early-stage research and development on improving the understanding of combustion processes, fuel properties, and emissions control technologies, generating knowledge and insight necessary for industry to develop the next generation of engines and fuels for the efficient, cost-effective, and secure transportation of people and goods across America.

33 ADVANCED PROPULSION SYSTEMS↗

DNS of Flame Stabilization Dynamics of a Swirl-Stabilized Spray Burner Using Sustainable Aviation Fuels

Concern for emission reduction has motivated the development of new cost-effective alternative sustainable aviation fuels (SAFs). Drop-in SAFs with blends of the certified and the alternative fuels are beneficial because they do not require engine modifications for use in current aviation engines. Combustion characteristics are of particular concern when comparing a new fuel with Jet-A. Lean blow-off and flame stabilization have been identified to be governed by the fuel propensity to autoignition, i.e. derived cetane number. However, fundamental investigation is required to identify the impact of derived cetane number on the combustion mode of flame stabilization in a realistic combustor. The combustion mode has also a direct impact on turbulent combustion modeling closures. DNS simulations are performed in the low-Mach solver of the Pele Suite called PeleLMeX. Lagrangian multi-phase modeling is used to capture the liquid spray injection of Jet-A (reference fuel) and C1 as a representative of a low cetane number SAF. Adaptive Mesh Refinement (AMR) is used to enable a more efficient simulation of a more realistic domain size and embedded boundary treatment is used to model a bluff-body geometry. Local extinction and edge flame propagation were observed for both fuels. The edge flame propagation mode was quantified in terms of a Damkohler number defined as the ratio between progress variable reaction rate and its diffusive flux. Initial analysis suggests that a mixed mode combustion occurs for the edge flame propagation, with flame propagation assisted by ignition and autoignition co-existing for both Jet-A and C1 flames. The analysis of the extinction region shows a larger progress variable for Jet-A which can further increase the local displacement speed and present a faster reignition of the stoichiometric mixture fraction.

adaptive mesh refinement↗

Atomization and Dispersion of a Liquid Jet Injected Into a Crossflow of Air

In recent years, environmental regulations have become more stringent, requiring lower emissions of mainly nitrogen oxides (NOx), as well as carbon monoxide (CO) and unburned hydrocarbons (UHC). These regulations have forced the gas turbine industry to examine non-conventional combustion strategies, such as the lean burn approach. The reasoning behind operating under lean conditions is to maintain the temperature of combustion near and below temperatures required for the formation of thermal nitric oxide (NO). To be successful, however, the lean processes require careful preparation of the fuel/air mixture to preclude formation of either locally rich reaction zones, which may give rise to NO formation, or locally lean reaction zones, which may give rise to inefficient fuel processing. As a result fuel preparation is crucial to the development and success of new aeroengine combustor technologies. A key element of the fuel preparation process is the fuel nozzle. As nozzle technologies have developed, airblast atomization has been adopted for both industrial and aircraft gas turbine applications. However, the majority of the work to date has focused on prefilming nozzles, which despite their complexity and high cost have become an industry standard for conventional combustion strategies. It is likely that the new strategies required to meet future emissions goals will utilize novel fuel injector approaches, such as radial injection. This thesis proposes and demonstrates an experiment to examine, on a mechanistic level (i.e., the physics of the action), the processes associated with the atomization, evaporation, and dispersion of a liquid jet introduced, from a radial, plain-jet airblast injector, into a crossflow of air. This understanding requires the knowledge not only of what factors influence atomization, but also the underlying mechanism associated with liquid breakup and dispersion. The experimental data acquired identify conditions and geometries for improved performance of radial airblast injectors.

Seay, J. E.↗

HSCT Sector Combustor Hardware Modifications for Improved Combustor Design

An alternative to the stepped-dome design for the lean premixed prevaporized (LPP) combustor has been developed. The new design uses the same premixer types as the stepped-dome design: integrated mixer flameholder (IMFH) tubes and a cyclone swirler pilot. The IMFH fuel system has been taken to a new level of development. Although the IMFH fuel system design developed in this Task is not intended to be engine-like hardware, it does have certain characteristics of engine hardware, including separate fuel circuits for each of the fuel stages. The four main stage fuel circuits are integrated into a single system which can be withdrawn from the combustor as a unit. Additionally, two new types of liner cooling have been designed. The resulting lean blowout data was found to correlate well with the Lefebvre parameter. As expected, CO and unburned hydrocarbons emissions were shown to have an approximately linear relationship, even though some scatter was present in the data, and the CO versus flame temperature data showed the typical cupped shape. Finally, the NOx emissions data was shown to agree well with a previously developed correlation based on emissions data from Configuration 3 tests performed at GEAE. The design variations of the cyclone swirler pilot that were investigated in this study did not significantly change the NOx emissions from the baseline design (GEAE Configuration 3) at supersonic cruise conditions.

Greenfield, Stuart C.↗

Hyperthermal Environments Simulator for Nuclear Rocket Engine Development

An arc-heater driven hyperthermal convective environments simulator was recently developed and commissioned for long duration hot hydrogen exposure of nuclear thermal rocket materials. This newly established non-nuclear testing capability uses a high-power, multi-gas, wall-stabilized constricted arc-heater to produce hightemperature pressurized hydrogen flows representative of nuclear reactor core environments, excepting radiation effects, and is intended to serve as a low-cost facility for supporting non-nuclear developmental testing of hightemperature fissile fuels and structural materials. The resulting reactor environments simulator represents a valuable addition to the available inventory of non-nuclear test facilities and is uniquely capable of investigating and characterizing candidate fuel/structural materials, improving associated processing/fabrication techniques, and simulating reactor thermal hydraulics. This paper summarizes facility design and engineering development efforts and reports baseline operational characteristics as determined from a series of performance mapping and long duration capability demonstration tests. Potential follow-on developmental strategies are also suggested in view of the technical and policy challenges ahead. Keywords: Nuclear Rocket Engine, Reactor Environments, Non-Nuclear Testing, Fissile Fuel Development.

Litchford, Ron J.↗

New NDA Methods for Thorium Fuel Cycle Safeguards (Final Report)

This project developed portable Neutron Resonance Transmission Analysis (pNRTA) as a new non-destructive assay (NDA) method for thorium fuel cycles safeguards and other applications where multiple isotopes must be measured when present together. pNRTA leverages epithermal neutron resonances to assay multiple safeguards-relevant isotopes (e.g., 233 U and 235 U) when they are present together in a sample. Existing techniques are challenged by this task, driving the need for new active interrogation methods. With selected detectors, pNRTA works in high gamma-ray backgrounds from fission and activation products and 232 U progeny expected in thorium fuel cycle samples. This project leveraged a pNRTA system developed at Pacific Northwest National Laboratory (PNNL) and collaboration with the Massachusetts Institute of Technology (MIT). The system uses a commercially available deuterium-tritium (DT) neutron generator at short standoff (2 m). Key achievements in this project included: first-of-a-kind pNRTA quantitative measurements of 233 U oxide samples, an assessment of neutron detector technologies suitable for pNRTA in high gamma-ray background environments, experimentally demonstrating quantitative assay of samples containing 233 U and 235 U, and modeling studies showing the applicability of pNRTA to a wide range of material forms. Further, a custom algorithm was developed at MIT, which provided mean bias of 9% and relative standard deviation of 36% in assaying 233 U, 235 U, 238 U, and 232 Th content in eight measured samples. These outcomes form a solid technical basis for pNRTA as a new promising capability for international safeguards verification that is portable, non-destructive, quantitative, and isotopic specific.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The study of integrated coal-gasifier molten carbonate fuel cell systems

A novel integration concept for a coal-fueled coal gasifier-molten carbonate fuel cell power plant was studied. Effort focused on determining the efficiency potential of the concept, design, and development requirements of the processes in order to achieve the efficiency. The concept incorporates a methane producing catalytic gasifier of the type previously under development by Exxon Research and Development Corp., a reforming molten carbonate fuel cell power section of the type currently under development by United Technologies Corp., and a gasifier-fuel cell recycle loop. The concept utilizes the fuel cell waste heat, in the form of hydrogen and carbon monoxide, to generate additional fuel in the coal gasifier, thereby eliminating the use of both an O2 plant and a stream bottoming cycle from the power plant. The concept has the potential for achieving coal-pile-to-busbar efficiencies of 50-59%, depending on the process configuration and degree of process configuration and degree of process development requirements. This is significantly higher than any previously reported gasifier-molten carbonate fuel cell system.

Source record↗

Lightweight Solid Oxide Cell Design for Ammonia-fed SOFC Systems

A lightweight solid oxide fuel cell (SOFC) was developed by OxEon Energy that demonstrates the potential for increased specific power (kW/g) suitable for the requirements of electric Vertical Take-off and Landing (eVTOL) applications. Fuel flexibility was demonstrated in button cells and stacks using both legacy electrolyte-supported SOFC structure and the lightweight structure. Button cell and stack performance was nearly identical among hydrogen, ammonia, and reformed natural gas. Durability testing shows similarly stable performance in each fuel. A button cell test in ammonia at 800 °C using the lightweight cell structure measured area specific resistance (ASR) of 0.25 Ω-cm2 in H2/N2 and NH3 fuel feeds and showed a peak power density of 0.98 W/ cm2 in NH3 fuel. Short term hold at 0.7 V showed stable performance.

Pike, Jenna↗

Reversible Fuel Cell Stacks with Integrated Water Management

Regenerative fuel cell/electrolyzers have long held promise as energy storage devices. Due to their small footprint and their ability to separately size the power and storage functions, they have many advantages over batteries, particularly for remote or deployable systems. A unitized regenerative fuel cell is proposed that takes advantage of three new technologies. The first is a H 2 /O 2 unitized regenerative stack that Giner, Inc. (Giner) has developed that combines a fuel cell and electrolyzer stack, eliminating one of the electrochemical stacks, the most expensive component in regenerative fuel cell systems. The second is an oxygen catalyst with low PGM loadings generated through Reactive Spray Deposition Technology (RSDT). The third is an amphiphilic microporous layer (AMPL) structure to greatly aid water management in both operational modes.

08 HYDROGEN↗

Hypersonic research engine project. Phase 2: Preliminary report on the performance of the HRE/AIM at Mach 6

Test results of the Aerothermodynamic Integration Model are presented. A program was initiated to develop a hydrogen-fueled research-oriented scramjet for operation between Mach 3 and 8. The primary objectives were to investigate the internal aerothermodynamic characteristics of the engine, to provide realistic design parameters for future hypersonic engine development as well as to evaluate the ground test facility and testing techniques. The engine was tested at the NASA hypersonic tunnel facility with synthetic air at Mach 5, 6, and 7. The hydrogen fuel was heated up to 1500 R prior to injection to simulate a regeneratively cooled system. The engine and component performance at Mach 6 is reported. Inlet performance compared very well both with theory and with subscale model tests. Combustor efficiencies up to 95 percent were attained at an equivalence ratio of unity. Nozzle performance was lower than expected. The overall engine performance was computed using two different methods. The performance was also compared with test data from other sources.

Sun, Y. H.↗

Development of MCNP Training Modules for Safeguards Practitioners [Abstract]

The Monte-Carlo N-Particle (MCNP) software developed at LANL is the most widely used neutron transport code in the world. It is an essential tool for a variety of applications including detector development and design, nuclear fuel burnup simulation, criticality safety, and nondestructive assay system optimization. For this reason, it is indispensable within the safeguards and materials control & accountability (MC&A) communities. Multiple MCNP training courses have been created and taught over the last several decades by the MCNP development team at LANL, however there are no existing courses that cover specialized topics considered fundamental to NDA and safeguards models. To fill this gap, the MCNP team and Safeguards Science and Technology group at LANL have co-created a set of training modules customized to meet the specialized needs of the safeguards and MC&A communities. The basic modules cover concepts such as NDA system optimization, He-specific and other capture tallies, and tools for improved theoretical understanding. An advanced module was also created to cover topics including variance reduction for active interrogation simulations, use of the LANL MCNPTools post-processor, PTRAC (particle tracking) and list-mode data simulations, and fuel burnup simulations. The training modules teach to the latest and most state-of-the-art MCNP features and tools released by the development team at LANL and are intended to be taught jointly by the developers and safeguards experts. Ultimately, we hope that creation of these modules will serve to capture and convey the safeguards modeling and MCNP expertise at LANL, and that we will be able to share the modules more broadly with the MC&A and safeguards communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fuel Performance Modeling Plan to Support the Advance Gas Reactor Program

This report documents the current status of the fuel performance modeling initiative to support the Advanced Gas Reactor (AGR) program in the development of tristructural isotropic (TRISO) coated fuel particles. A brief summary of the modeling codes that have been developed to support TRISO modeling is included along with a summary of the behavior of fuel particles during irradiation and the modeling used to capture these effects. In addition, this report identifies further modeling and material property needs that have been identified for further development based on experience from previously performed AGR experiments. In general, the remaining activities to support fuel performance modeling for the AGR program include continued AGR experiment support for AGR-3/4 and AGR-5/6/7 as well as modeling improvements identified throughout the course of the program. These modeling improvements can be summarized as the following: Fission product transport Thermomechanical particle behavior Additional modeling needs may be identified during the processing the data collected during the AGR post-irradiation examination (PIE) campaign and may lead to further modeling improvements that are not included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Design and Development of a High-Efficiency Single Cylinder Natural Gas-Fueled Jet Ignition Engine

The current energy climate has created a push toward reducing consumption of fossil fuels and lowering emissions output in power generation applications. Combined with the desire for a more distributed energy grid, there is currently a need for small displacement, high efficiency engines for use in stationary power generation. An enabling technology for achieving high efficiencies with spark ignited engines for such applications is the use of jet ignition which enables ultra-lean (λ > ~1.6) combustion via air dilution.This paper provides a comprehensive review of the development of a 390cc, high efficiency single cylinder natural gas-fueled jet ignition engine operating ultra-lean. The engine was developed as part of the Department of Energy’s Advanced Research Projects Agency–Energy (DOE ARPA-E) GENSETS program. Design choices for minimizing friction are highlighted as well as test results showing further friction reduction through downspeeding. Extensive hardware optimization of the combustion system has been performed and results are presented for air-flow path optimization and the jet igniter. The efficiency benefits related to enleanment and downspeeding are analyzed using an efficiency loss breakdown based on the First Law of Thermodynamics. Through optimization efforts a peak brake thermal efficiency in excess of 34% was achieved, representing an increase of greater than 20% over the current state-of-the-industry for comparably sized CNG engines.

Peters, Nathan↗

Grain growth kinetics of the gamma phase metallic uranium

We report metallic uranium is a leading fuel form for sodium cooled fast reactors as an enabling technology of future nuclear energy systems. Mechanistic understanding of fuel behaviors and kinetics under thermodynamic equilibrium and highly non-equilibrium conditions are essential for evaluating fuel performance. It is important to understand and predict the grain and pore evolutions of metallic fuels under thermal and irradiation conditions. However, very limited data are available on the grain growth kinetics and mechanisms of pure gamma phase uranium. In this paper, the pure gamma uranium pellets with different grain structures were fabricated by combining high-energy ball milling and spark plasma sintering. Isothermal annealing tests were performed to investigate the grain growth behavior of the pure gamma phase uranium with different initial grain sizes. A parabolic relationship in grain growth with time was identified for the submicron-sized (374 nm) sample. In contrast, for the nano-sized (137 nm) sample, the grain growth shows a linear relationship with time. The activation energies of grain growth were determined as 199.5 KJ/mol and 80.6 KJ/mol for nano-sized and submicron-sized grain structures, respectively. For the nano-sized sample, the rate-control step of grain growth is dominated by the triple-junction migration, in which the grain boundary triple junction drags the grain growth, leading to a higher activation energy than the bulk diffusion. The dominating mechanism for the submicron-sized sample is grain boundary diffusion. The mechanistic understanding and critical data obtained on the kinetics of pure uranium phases will be useful to evaluate fuel behavior under thermodynamic equilibrium conditions and develop a high fidelity model to predict fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗