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DOE OSTI2022

Co-optimized Mixed-Mode Engine and Fuel Demonstrator for Improved Fuel Economy while Meeting Emissions Requirements

Progressively increasing regulatory demands on fuel economy and future global emission standards have led to a focus on advanced engine development to improve overall engine efficiency and fulfill emission requirements. Low temperature combustion (LTC) and gasoline compression ignition (GCI) are promising technologies to achieve these goals and have the advantage of using existing refinery infrastructure and subsequent economies of scale for a robust energy supply. By applying spark ignition (SI) for cold start, LTC for low load operations, and GCI for medium to high load operations, a multimode GCI engine concept was proposed and the fuel formation was co-optimized to maximize fuel economy improvement potential while maintaining ULEV 70 emissions standards. HATCI has successfully demonstrated the feasibility of this multimode GCI engine concept, and confirmed the fuel economy improvement over the baseline SI engine by simulating the FTP75 vehicle drive cycle. In this report, the technical approaches, multimode engine control, and engine test results of both steady state and transitions, CFD modeling, fuel testing, and FTP75 drive cycle simulation results are summarized, followed with technical challenges observed, and recommendations for possible follow-up studies.

02 PETROLEUM↗

DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

The decline of coal use for energy production provides an abundance of local feedstock for new innovative uses and value-added products. Expanding the U.S. coal-value chain to manufacture high-value carbon products can strengthen the nation’s energy and mineral security, enhance the U.S. national defense security, increase the United States’ economic prosperity, while achieving U.S. environmental objectives. The primary project goal is a relatively light-weight composite product with superior (or comparable) compressive strength. Both virgin and, where available, post-consumer recycled thermoplastic versions are tested for each thermoplastic species. A useful attribute of thermoplastics as binders is that they can be heated to their melting point, cooled, and reheated again without significant degradation. A key advantage of thermoset CBBs is that they require only mixing and molding. CBB advantages include low cost, availability, binding ability and processability. Coal-based bricks and blocks (CBBs) weigh about 50% less than clay bricks and can be manufactured with an interlocking design to promote ease of use for the novice builder. CBB formulation is evaluated according to a design-of-experiments (DoE) approach. DoE variables are a) relative weight fractions of binder, b) relative proportions of large versus small (milled) anthracite size fractions, and c) additive percentage. Fabrication methods include hot-press molding and extrusion, the later being the most commercially viable. CBBs are tested for compressive strength, modulus of rupture (by flexure test) and water absorption per ASTM C67, with density determined by the Archimedes drainage method. Fractured interfaces are examined by SEM (Scanning Electron Microscopy) to resolve fracture dynamics and interior microstructure uniformity. Differential scanning calorimetry (DSC) is used to compare plastic transition temperatures i.e., glass and melting temperatures to contrast virgin with post-consumer recycled thermoplastics and optimize their usage. These results are used in the DoE analysis to identify the binder and relative weight percentages for optimum strength, density, and porosity. Overall, CBBs possess strength comparable to clay-based bricks but are non-permeable and hydrophobic, and hence resistant to degradation by freeze-fracturing, corrosion, and efflorescence. The strongest composites have been made with the following thermoplastic binders (in order of strength): thermoset, high-density polyethylene crosslink resin, high-density polyethylene, nylon 6/6, and polypropylene. Results from a techno-economic analysis TEA show economy of scale for CBBs by modularization and reveal the binder as the cost driver for material costs. Ideally, the incorporation of post-consumer recycled thermoplastic will decrease material acquisition costs and increase product sustainability. Notably, CBBs do not require the high temperature calcination needed to produce cement, nor do they require firing in the 1600-2400 °F range for three days using natural gas, as do clay brick equivalents. Instead, CBBs are heated to a modest <600 °F according to the melt flow index of the thermoplastic binder. Existing anthracite mines can be expanded to produce CBBs to reduce aggregate transportation costs and emissions that exist for clay bricks. TEA reflects this reduced energy cost while a comparative CO2 emission analysis quantifies the reduced environmental footprint. The market survey identifies several commercialization opportunities, dependent upon the brick classification.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1975

Supersonic free turbulent mixing layers

A mean turbulent closure method with a length scale function is developed for predicting the reduced spreading rate in high Mach number, high Reynolds number free shear layers. The new feature of the method is the inclusion of effects of the pressure-dilation term which appears in the compressible form of the turbulence energy equation. The model indicates that the pressure-dilation correlation may act as a turbulence energy sink or source depending on whether the transverse gradients of mean Mach number and mean density have the same or opposite signs.

Oh, Y. H.↗

NASA NTRS1985

A first-order Green's function approach to supersonic oscillatory flow: A mixed analytic and numeric treatment

A frequency domain Green's Function Method for unsteady supersonic potential flow around complex aircraft configurations is presented. The focus is on the supersonic range wherein the linear potential flow assumption is valid. In this range the effects of the nonlinear terms in the unsteady supersonic compressible velocity potential equation are negligible and therefore these terms will be omitted. The Green's function method is employed in order to convert the potential flow differential equation into an integral one. This integral equation is then discretized, through standard finite element technique, to yield a linear algebraic system of equations relating the unknown potential to its prescribed co-normalwash (boundary condition) on the surface of the aircraft. The arbitrary complex aircraft configuration (e.g., finite-thickness wing, wing-body-tail) is discretized into hyperboloidal (twisted quadrilateral) panels. The potential and co-normalwash are assumed to vary linearly within each panel. The long range goal is to develop a comprehensive theory for unsteady supersonic potential aerodynamic which is capable of yielding accurate results even in the low supersonic (i.e., high transonic) range.

Freedman, M. I.↗

DOE OSTI2021

Mechanics of vitrimer particle compression and fusion under heat press

The compression and fusion of vitrimer particles is a fundamental problem underlying the recycling of vitrimers. Incomplete particle compression can lead to voids in the fused vitrimer, thereby impacting its mechanical property. In this work, we present a two-dimensional finite element model to capture the interplay of multiple complex mechanisms including random particle packing, large deformation, inter-particle contact, thermally activated bulk stress relaxation, and interface healing. Specifically, we focus on understanding two key components of this problem: i) evolution of porosity during compression and fusion of randomly packed vitrimer particles, and ii) effective tensile modulus and strength of fused vitrimer. Using the finite element model, we first show that using smaller particles can reduce the porosity in the fused vitrimer, which only slightly increases the effective modulus, but the increase in tensile strength is more pronounced. In addition, under the same processing conditions, particles with mixed sizes can achieve better densification and higher tensile strength after fusion than uniformly sized particles with the same average radius. Regarding the effects of processing conditions, we discuss how the porosity and effective modulus of the fused vitrimer depend on the processing time, temperature and pressure, and find a general trend consistent with experimental observations, i.e. longer processing time, higher temperature or higher pressure can lead to lower porosity and higher modulus of the fused vitrimer. Finally, the theoretical insights towards the compression and fusion process as well as the simulation framework can be useful in optimizing the powder-based heat press process of vitrimer and its composites.

42 ENGINEERING↗

DOE OSTI2020

Injection Overmolding of Continuous Carbon Fiber Preforms

This project explored and developed a process to injection overmold continuous carbon fiber preforms fabricated with tailored fiber placement. Much early work was focused on the ability to infuse dry carbon fiber tow, fully wetting out the fibers, in an injection molding process. Various approaches were explored, including using commingled fiber and pre-consolidated flexible preforms. The commingled fiber was a blend of carbon fiber and polymer fiber matching the injecting polymer. This approach showed some merit but required an extremely high quality homogeneous mixing of the polymer fibers with the carbon fibers to wet out the carbon fiber tow. Therefore, the project focused on pre-consolidated preforms. The pre-consolidated preform manufacturing method was first developed using compression molded flat plates that were cut into tensile specimen for testing. Work then progressed to an injection molded simplified corner fitting bracket. It was shown that a viable manufacturing method for overmolding continuous carbon fiber preforms could be developed.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Numerical calculation of unsteady transonic potential flow over helicopter rotor blades

The small-disturbance potential equation appropriate to a helicopter in forward flight is derived. This equation is then solved for the flow over a nonlifting transonic rotor blade, using a completely implicit scheme that is an extension of the Murman-Cole mixed-difference technique. The flow in the tip region is most unsteady in the decelerating flow region, after the blade passes the psi = 90 deg azimuthal station. The unsteadiness appears to be caused by expansion and compression waves that move slowly upstream of the blade as the relative incident flow decelerates. The influence of aspect ratio, advance ratio, and Mach number on this process is discussed.

Caradonna, F. X.↗

NASA NTRS1988

Microstructural effects on fracture toughness of polycrystalline ceramics in combined mode I and mode II loading

Fracture toughness of polycrystalline alumina and ceria partially-stabilized tetragonal zirconia (CeO2-TZP) ceramics were assessed in combined mode I and mode II loading using precracked disk specimens in diametral compression. Stress states ranging from pure mode I, combined mode I and mode II, and pure mode II were obtained by aligning the center crack at specific angles relative to the loading diameter. The resulting mixed-mode fracture toughness envelope showed significant deviation to higher fracture toughness in mode II relative to the predictions of the linear elastic fracture mechanics theory. Critical comparison with corresponding results on soda-lime glass and fracture surface observations showed that crack surface resistance arising from grain interlocking and abrasion was the main source of the increased fracture toughness in mode II loading of the polycrystalline ceramics. The normalized fracture toughness for pure mode II loading, (KII/KIc), increased with increasing grain size for the CeO2-TZP ceramics. Quantitative fractography confirmed an increased percentage of transgranular fracture of the grains in mode II loading.

Singh, D.↗

NASA NTRS1991

CFD Applications in Propulsion

An overview of various applications of Computational Fluid Dynamics (CFD) algorithms to propulsion problems is given. Topics of interest include incompressible, low speed compressible, transonic, and supersonic problems. A common family of algorithms is used for all applications and emphasis is placed on maintaining accuracy and convergence efficiency for all problems. Specific problems include pump hydrodynamics, simultaneous combustion and mixing in rocket engines, viscous nozzle flow, and CFD applications to combustion stability.

Merkle, Charles L.↗

NASA NTRS2019

Experimental and Numerical Analysis of Skin-Stiffener Separation Using a Seven-Point Bend Configuration

Skin-stiffener separation in stiffened composite panels consists of a complex interaction between multiple scales of progressive damage and failure mechanisms. This work used a superposed cohesive element method of modeling resistance curve effects that represents the structural interface of a unidirectional tape skin and a fabric stiffener. Finite element models using cohesive elements with input properties obtained from tape-to-fabric interface characterization tests were compared to experimental results of a stable skin-stiffener separation characterization test using a seven-point bend fixture. This fixture deformed the stiffened panel specimens into a buckled configuration which induced mixed-mode interlaminar stress states at the skin-stiffener interface. The advantage of this fixture was the potential for more stable damage initiation and delamination growth compared to a stringer-stiffened panel under axial compression. Use of the superposed cohesive elements showed promise, but the characterization of interface material properties as input to the cohesive elements remains a crucial component to be investigated to ensure accurate prediction of skin-stiffener separation.

Kosztowny, Cyrus J. R.↗

DOE OSTI2020

Hydrodynamic instabilities and heat transfer characteristics in the duct flow of a fluid in the supercritical thermodynamic regime

The behavior of fluids at supercritical thermodynamic conditions is inherently complex due to large variations in thermodynamic and transport properties. Recent numerical and experimental investigations illustrate ongoing interest for these fluids, especially supercritical CO 2 and supercritical water, for a variety of applications. For example, supercritical water reactors (SCWR) operate in this extreme condition of high-pressure and temperature, resulting in highly dynamic flow fields and unexpected heat transfer regimes. The potential heat transfer benefits in this regime are directly associated with the extreme variations in thermodynamic and transport properties, which occur at, and above, the critical point. This work characterizes the hydrodynamic instabilities that arise for fluids at supercritical thermodynamic conditions when buoyancy forces are significant. Two specific configurations are considered, a natural convection cavity flow, and a mixed convection, heated, horizontal channel flow. Natural convection flow in a cavity is a classical configuration with expected behavior below the critical point. This configuration aids in characterizing the effect of the variable properties in the supercritical thermodynamic regime. Further, limited studies in the existing literature have been conducted for low-Reynolds and intermediate-Rayleigh numbers, mixed-convection channel flows for supercritical water, which is the focus of the channel flow configuration. To investigate the thermally driven hydrodynamic instabilities in this regime, a high-order fully-implicit numerical method is used. Such strong variations in thermophysical properties (in particular, density) are difficult to simulate and an altogether compressible framework is needed. Therefore, the compressible Navier-Stokes equations are solved without any additional assumptions. The fully implicit, high-order in space and time, reconstructed discontinuous Galerkin method as implemented within the multi-physics code called ALE3D (Arbitrary Lagrangian and Eulerian in 2D and 3D), developed at Lawrence Livermore National Laboratory (LLNL), is used. This fully implicit, L-stable method accurately captures the compressible nature of the ow in the limit of very low Mach number. It has been widely accepted that above the critical point, only one phase is observed. However, recent research has indicated the existence of the distinct gas-like and liquid-like regions separated by the Widom line, the locus of the maxima of the specific heat. Along the Widom line, density decreases 6-fold, viscosity drops by a factor of 2, while specific heat spikes by an order of magnitude. These variations, specifically in density and viscosity, produce a thick pseudo-interface and flow dynamics behavior akin to film boiling. A pseudo-film at the heated wall of the cavity and the horizontal channel is observed where buoyancy forces induce mixing through the specific configurations. Further the local Rayleigh and Richardson numbers provide maps of the flow field and the buoyancy forces driving the microscopic mixing. In the first chapter, I describe a background of supercritical fluid and the various applications. The second chapter focuses on the mathematical model and numerical method used for simulations, where a description of the equation of state for supercritical water is described. The third chapter focuses on the natural convection cavity with a heated bottom wall. In this cavity a gas-like and a liquid-like flow within the supercritical thermodynamic regime are observed. The fourth chapter focuses on a forced convection, horizontal channel, distinguishing between the gas-like, liquid-like, and mixed flow regimes. Mixed convection flow, with the addition of gravitational forces in the horizontal channel show the influence of variable properties on the hydrodynamic development, heat transfer, and rising instabilities. The last chapter of this research focuses on characterizing the unstable hydrodynamics through time-averaging processes and analysis of the movement of energy through the developing plumes.

42 ENGINEERING↗

DOE OSTI2023

Phonon mixing in the charge density wave state of ScV6Sn6

Abstract Kagomé metals are widely recognized, versatile platforms for exploring topological properties, unconventional electronic correlations, magnetic frustration, and superconductivity. In the R V 6 Sn 6 family of materials ( R = Sc, Y, Lu), ScV 6 Sn 6 hosts an unusual charge density wave ground state as well as structural similarities with the A V 3 Sb 5 system ( A = K, Cs, Rb). In this work, we combine Raman scattering spectroscopy with first-principles lattice dynamics calculations to reveal phonon mixing processes in the charge density wave state of ScV 6 Sn 6 . In the low temperature phase, we find at least four new peaks in the vicinity of the V-containing totally symmetric mode near 240 cm −1 suggesting that the density wave acts to mix modes of P 6/ m m m and $$R\bar{3}m$$ R 3 ¯ m symmetry - a result that we quantify by projecting phonons of the high symmetry state onto those of the lower symmetry structure. We also test the stability of the short-range ordered density wave state under compression and propose that both physical and chemical pressure quench the effect. We discuss these findings in terms of symmetry and the structure-property trends that can be unraveled in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1997

Collective Interaction of a Compressible Periodic Parallel Jet Flow

A linear instability model for multiple spatially periodic supersonic rectangular jets is solved using Floquet-Bloch theory. The disturbance environment is investigated using a two dimensional perturbation of a mean flow. For all cases large temporal growth rates are found. This work is motivated by an increase in mixing found in experimental measurements of spatially periodic supersonic rectangular jets with phase-locked screech. The results obtained in this paper suggests that phase-locked screech or edge tones may produce correlated spatially periodic jet flow downstream of the nozzles which creates a large span wise multi-nozzle region where a disturbance can propagate. The large temporal growth rates for eddies obtained by model calculation herein are related to the increased mixing since eddies are the primary mechanism that transfer energy from the mean flow to the large turbulent structures. Calculations of growth rates are presented for a range of Mach numbers and nozzle spacings corresponding to experimental test conditions where screech synchronized phase locking was observed. The model may be of significant scientific and engineering value in the quest to understand and construct supersonic mixer-ejector nozzles which provide increased mixing and reduced noise.

Miles, Jeffrey Hilton↗

DOE OSTI2017

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1994

A study of low emissions gas turbine combustions

Analytical studies have been conducted to determine the best methods of reducing NO(x) emissions from proposed civilian supersonic transports. Modifications to the gas turbine engine combustors and the use of additives were both explored. It was found that combustors which operated very fuel rich or lean appear to be able to meet future emissions standards. Ammonia additives were also effective in removing NO(x), but residual ammonia remained a problem. Studies of a novel combustor which reduces emissions and improves performance were initiated. In a related topic, a study was begun on the feasibility of using supersonic aircraft to obtain atmospheric samples. The effects of shock heating and compression on sample integrity were modeled. Certain chemical species, including NO2, HNO3, and ClONO2 were found to undergo changes to their composition after they passed through shock waves at Mach 2. The use of detonation waves to enhance mixing and combustion in supersonic airflows was also investigated. This research is important to the use of airbreathing propulsion to obtain orbital speeds and access to space. Both steady and pulsed detonation waves were shown to improve engine performance.

Adelman, Henry G.↗

DOE OSTI2017

Computational Study of Droplet Dynamics in Dispersed Flow Film Boiling Regime in PWR Geometries

Dispersed flow film boiling (DFFB) regime is exhibited during low-flooding rate conditions following the postulated Loss-of-Coolant Accident (LOCA) in nuclear reactor flow channels. LOCA is a type of design-basis accident scenario, which is crucial for reactor design and licensing. Accurate models to predict the heat transfer in DFFB regime is critical for the reactor to maintain safety limits. The nominal operating linear heat rate is also set based on the maximum linear heat rate determined for a LOCA transient. It is understood that the behavior of entrained droplets in DFFB regime greatly affects the heat transfer by evaporating and desuperheating the surrounding steam. Furthermore, interaction with flow structures also aids in increasing the evaporation rate of entrained droplets. In order to quantify this enhancement in heat transfer, the size of droplets downstream of flow structures (Spacer Grids and Mixing Vanes) is of crucial importance. Thermal hydraulic analysis codes like COBRA-TF, CATHARE-3 and adopt a three-field equation model that allows them to model the droplet field separately. However, to ensure the accuracy of these field equations, various correlations and physical models are required. This paper proposes a method for characterizing the mean Sauter Diameter of droplets across spacer-grids and mixing vanes in PWR sub-channels using PHASTA - a high fidelity flow solver with multiphase capabilities using the level-set method. The PHASTA code is a finite element based computational fluid dynamics code designed for solving compressible and incompressible turbulent flows. It has been demonstrated to be massively scalable (up to 786,432 cores), which is crucial for simulating large realistic domains. The code incorporates the level-set method for interface tracking of the gas-liquid interface.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

FLEX-FUEL MIXING CONTROLLED COMBUSTION ENABLED BY PRECHAMBER IGNITION

There is an imminent need to displace fossil diesel fuel with cleaner burning, domestically produced, renewable fuels for use in heavy-duty engines. Bioethanol is a prime candidate as it widely adopted in the U.S. as a gasoline additive ranging in volume percentage from 10% (E10) up to 85% (E85). Direct substitution of market available ethanol-gasoline blends for diesel fuel is not plausible as the stark reactivity differences would not constitute the same ignition quality nor achieve auto-ignition at all. This work focuses on the development of prechamber enabled mixing-controlled combustion (PC-MCC) as an advanced combustion strategy to facilitate reliable ignition and diffusion style combustion ethanol-gasoline fuel blends. PC-MCC involves integration of an actively fueled prechamber (PC) into a conventional compression ignition combustion system. When ignited, the PC ejects hot turbulent jets into the main combustion chamber that then interact with the direct injected fuel, prompting immediate ignition. The PC jet flames provide a robust thermal ignition source that allows the engine to operate agnostic of fuel composition, or flex-fuel. Computational fluid dynamics (CFD) modeling was used to assess critical design features of the PC while garnering insights into the ignition strategies that facilitate robust performance. A key finding was the ignition performance benefits of fuel-rich PC operation which yield exothermic jets. Based on the numerical findings, a prototype igniter was tested experimentally on both single and multi-cylinder engine platforms at a variety of operating conditions. The experimental results indicate flex-fuel PC-MCC is well capable of diesel-like combustion processes by demonstrating matched or improved gross thermal efficiencies and load variability within 2%. Fuel grade ethanol (E98) exhibited consistently lower NOx and immeasurable soot across the load space. E98 also demonstrated a significant improvement in thermal efficiency at light loads.

Zeman, Jared↗

DOE OSTI2024

Instabilities and Mixing in Inertial Confinement Fusion

By imploding fuel of hydrogen isotopes, inertial confinement fusion (ICF) aims to create conditions that mimic those in the Sun's core. This is fluid dynamics in an extreme regime, with the ultimate goal of making nuclear fusion a viable clean energy source. The fuel must be reliably and symmetrically compressed to temperatures exceeding 100 million degrees Celsius. After the best part of a century of research, the foremost fusion milestone was reached in 2021, when ICF became the first technology to achieve an igniting fusion fuel (thermonuclear instability), and then in 2022 scientific energy breakeven was attained. A key trade-off of the ICF platform is that greater fuel compression leads to higher burn efficiency, but at the expense of amplified Rayleigh–Taylor and Richtmyer–Meshkov instabilities and kinetic-energy-wasting asymmetries. In extreme cases, these three-dimensional instabilities can completely break up the implosion. Even in the highest-yielding 2022 scientific breakeven experiment, high-atomic-number (high-Z) contaminants were unintentionally injected into the fuel. Here we review the pivotal role that fluid dynamics plays in the construction of a stable implosion and the decades of improved understanding and isolated experiments that have contributed to fusion ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗