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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 955 records · Page 53

EGR Dilution and Fuel Property Effects on High-Efficiency Spark-Ignition Flames

Modern spark ignition internal combustion engines rely on fast combustion rates and high dilution to achieve high brake thermal efficiencies. To accomplish this, new engine designs have moved towards increased tumble ratios and stroke-to-bore ratios. Increased tumble ratios correlate positively with increases in turbulent kinetic energy and improved fuel and residual gas mixing, all of which favor faster and more efficient combustion. Longer stroke-to-bore ratios allow higher geometric compression ratios and use of late intake valve closing to control peak compression pressures and temperatures. The addition of dilution to improve efficiency is limited by the resulting increase in combustion instabilities manifested by cycle-to-cycle variability. A number of effects - preferential diffusion, turbulence-combustion interactions, stochastic flow patterns, laminar-turbulent flame kernel transitions, and relative length and velocity scales between flame and turbulence - are believed to be responsible for the increase in cycle-to-cycle variations, where their contributions are likely interlinked. Several studies have shown the influence of stochastic flow characteristics on the nature of combustion instabilities, such as velocity patterns on flame kernel formation and cycle-to-cycle variations in residual gas. However, few have focused on the specific effects of fuel properties. The objective of this work is to contrast the effects of dilution on propane stoichiometric combustion against gasoline. Dilution tolerance experiments were conducted in a purpose-built high stroke-to-bore ratio single cylinder engine with both gasoline and LPG. Three-dimensional full cycle computational fluid dynamics (CFD) simulations employing a level-set combustion approach and Reynolds averaged Navier-Stokes (RANS) turbulence modeling was used to qualitatively assess the changes in length and velocity scales for turbulence and the flame. The experimental results showed that LPG can tolerate higher exhaust gas recirculation (EGR) dilution under a variety of conditions. Analysis of CFD simulations showed that propane flames are likely less sensitive to influences from the flow field due to less thickening of the flame and higher effective flame speeds.

33 ADVANCED PROPULSION SYSTEMS↗

The growth of metastable peritectic compounds

The influence of gravitationally driven convection on the directional solidification of peritectic alloys was evaluated. The Pb-Bi peritectic was studied as a model solidification system. Analyses of directionally solidified Pb-Bi peritectic samples indicate that appreciable macrosegregation occurs due to thermosolutal convection and/or Soret diffusion. The macrosegregation results in sequantial change of phase and morphology as solidification progresses down the length of the sample. Banding was eliminated when furnace conditions were selected which resulted in a planar solidification interface. The directional solidification that occurs in the vicinity of the Pb-Bi peritectic isothermal was found to be isocompositional and to consist solely of the equilibrium terminal solid solution and peritectic phases on an extremely fine scale. Evidence was found to support the peritectic supercooling mechanism, but not the proposed peritectic superheat mechanism.

Larson, D. J., Jr.↗

Numerical analysis of SSME preburner injector atomization and combustion processes

The coaxial spray injection and combustion flowfields of a Space Shuttle Main Engine preburner injector element have been analyzed using a three-phase numerical code. The processes of atomization, evaporation, secondary droplet breakup, and multispecies chemistry, as well as turbulent diffusion, are included. The model produced realistic pictures of the complex internal flowfield, including liquid jet length, spray shape, flame-zone size and characteristics, and predicted temperatures that seem to be in agreement with test data envelopes. It predicted an external group combustion type of flame. Salient combustion and mixing features are discussed and sources of uncertainty are pointed out for future studies.

Liang, P. Y.↗

An experimental investigation of the separating/reattaching flow over a backstep

Reynolds number effects on the evolution of the turbulence structure in the recovery region of a turbulent separated flow generated by a backward-facing step were studied experimentally. Five different flow conditions and four Reynolds numbers were investigated. All single point measurements were conducted on the plane of symmetry of the wind tunnel starting at approximately x/h = 10 for each flow condition. The upper limit of the measuring domain depends upon the physical size of the tunnel and ranged from 50 to 114 step heights. It is apparent that most of the boundary layer recovery was captured by the experiment. Normal stresses, shear stress, mixing length scales and eddy viscosity are shown, while the higher order velocity products related to the diffusion of the turbulence energy are planned for latter stages of the data analysis.

Jovic, Srboljub↗

A Note on the Wave Action Density of a Viscous Instability Mode on a Laminar Free-shear Flow

Using the assumptions of an incompressible and viscous flow at large Reynolds number, we derive the evolution equation for the wave action density of an instability wave traveling on top of a laminar free-shear flow. The instability is considered to be viscous; the purpose of the present work is to include the cumulative effect of the (locally) small viscous correction to the wave, over length and time scales on which the underlying base flow appears inhomogeneous owing to its viscous diffusion. As such, we generalize our previous work for inviscid waves. This generalization appears as an additional (but usually non-negligible) term in the equation for the wave action. The basic structure of the equation remains unaltered.

Balsa, Thomas F.↗

Primary Dendrite Arm Spacings in Al-7Si Alloy Directionally Solidified on the International Space Station

Samples from directionally solidified Al- 7 wt. % Si have been analyzed for primary dendrite arm spacing (lambda) and radial macrosegregation. The alloy was directionally solidified (DS) aboard the ISS to determine the effect of mitigating convection on lambda and macrosegregation. Samples from terrestrial DS-experiments thermal histories are discussed for comparison. In some experiments, lambda was measured in microstructures that developed during the transition from one speed to another. To represent DS in the presence of no convection, the Hunt-Lu model was used to represent diffusion controlled growth under steady-state conditions. By sectioning cross-sections throughout the entire length of a solidified sample, lambda was measured and calculated using the model. During steady-state, there was reasonable agreement between the measured and calculated lambda's in the space-grown samples. In terrestrial samples, the differences between measured and calculated lambda's indicated that the dendritic growth was influenced by convection.

Angart, Samuel↗

Cold Ion Demagnetization near the X-line of Magnetic Reconnection

Although the effects of magnetic reconnection in magnetospheres can be observed at planetary scales, reconnection is initiated at electron scales in a plasma. Surrounding the electron diffusion region, there is an Ion-Decoupling Region (IDR) of the size of the ion length scales (inertial length and gyroradius). Reconnection at the Earths magnetopause often includes cold magnetospheric (few tens of eV), hot magnetospheric (10 keV), and magnetosheath (1 keV) ions, with different gyroradius length scales. We report observations of a subregion inside the IDR of the size of the cold ion population gyroradius (approx. 15 km) where the cold ions are demagnetized and accelerated parallel to the Hall electric field. Outside the subregion, cold ions follow the E x B motion together with electrons, while hot ions are demagnetized. We observe a sharp cold ion density gradient separating the two regions, which we identify as the cold and hot IDRs.

Toledo-Redondo, Serio↗

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Diffusion characteristics of water molecules in a lamellar structure formed by triblock copolymers

The distribution and diffusion of water molecules are playing important roles in determining self-assembly and transport properties of polymeric systems. Small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulation have been applied to understand the distribution of water molecules and their dynamics in the lamellar membrane formed by Pluronic L62 block copolymers. Penetration of water molecules into the polyethylene oxide (PEO) layers of the membranes has been estimated using scattering length density (SLD) profiles obtained from SANS measurements, which agree well with the molecular distribution observed from MD simulations. The water diffusion coefficient at different regions of the lamellar membrane was further investigated using MD simulation. The diffusion characteristic shows a transition from normal to anomalous diffusion as the position of the water molecule changes from the bulk to PEO and to the polypropylene oxide (PPO) layer. Here we find that water molecules within the PEO or PPO layers follow subdiffusive dynamics, which can be interpreted by the model of fractional Brownian motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxygen and Fuel Jet Diffusion Flame Studies in Microgravity Motivated by Spacecraft Oxygen Storage Fire Safety

Owing to the absence of past work involving flames similar to the Mir fire namely oxygen-enhanced, inverse gas-jet diffusion flames in microgravity the objectives of this work are as follows: 1. Observe the effects of enhanced oxygen conditions on laminar jet diffusion flames with ethane fuel. 2. Consider both earth gravity and microgravity. 3. Examine both normal and inverse flames. 4. Compare the measured flame lengths and widths with calibrated predictions of several flame shape models. This study expands on the work of Hwang and Gore which emphasized radiative emissions from oxygen-enhanced inverse flames in earth gravity, and Sunderland et al. which emphasized the shapes of normal and inverse oxygen-enhanced gas-jet diffusion flames in microgravity.

Sunderland, P. B.↗

Phase-field model of alloy solidification far from chemical equilibrium at the solid-liquid interface

We further develop a recently introduced phase-field model of far-from-equilibrium alloy solidification under additive manufacturing conditions [K. Ji et al., Phys. Rev. Lett. 130, 026203 (2023)]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute trapping with a larger interface width, thereby making simulations on experimentally relevant length and timescales computationally feasible. The main developments presented here include testing the robustness of different variational formulations, extending the model to concentrated alloys by incorporating solid and liquid free energies from thermodynamic databases, as illustrated for hypoeutectic Al-Ag alloys with CALPHAD, extending convergence tests as a function of interface width to 3D, and carrying out simulations in both 2D and 3D to examine existing theories of microstructure development. Our results indicate that the simplest variational formulation that interpolates the bulk free-energy density between its solid and liquid forms is the most robust. Remarkably, for hypoeutectic Al-Ag alloys, this formulation yields a high-velocity nonequilibrium phase diagram that is independent of interface width, thereby demonstrating that the framework of enhanced solute diffusivity can be nontrivially extended to concentrated alloys. Other variational formulations have restricted ranges of materials or processing parameters that can be reliably modeled. We use 2D simulations to construct high-velocity microstructure selection maps for dilute Al-Cu alloys. The results validate the important role of latent heat rejection at the interface and extend the limited predictions of linear stability analysis [A. Karma and A. Sarkissian, Phys. Rev. E 47, 513 (1993)] and sharp-interface 1D simulations to fully nonlinear regimes. Furthermore, 3D simulations, carried out using a computationally tractable axisymmetric cellular/dendritic interface shape, demonstrate a good convergence similar to that observed in 2D as a function of interface width. Full 3D simulations, in turn, reveal that the standard theory of absolute stability is a good predictor of the upper critical velocity beyond which steady-state growth becomes unstable, despite the different morphological manifestations of this instability in 2D and 3D.

36 MATERIALS SCIENCE↗

Particle-Image Velocimetry in Microgravity Laminar Jet Diffusion Flames

This paper discusses planned velocity measurements in microgravity laminar jet diffusion flames. These measurements will be conducted using Particle-Image Velocimetry (PIV) in the NASA Glenn 2.2-second drop tower. The observations are of fundamental interest and may ultimately lead to improved efficiency and decreased emissions from practical combustors. The velocity measurements will support the evaluation of analytical and numerical combustion models. There is strong motivation for the proposed microgravity flame configuration. Laminar jet flames are fundamental to combustion and their study has contributed to myriad advances in combustion science, including the development of theoretical, computational and diagnostic combustion tools. Nonbuoyant laminar jet flames are pertinent to the turbulent flames of more practical interest via the laminar flamelet concept. The influence of gravity on these flames is deleterious: it complicates theoretical and numerical modeling, introduces hydrodynamic instabilities, decreases length scales and spatial resolution, and limits the variability of residence time. Whereas many normal-gravity laminar jet diffusion flames have been thoroughly examined (including measurements of velocities, temperatures, compositions, sooting behavior and emissive and absorptive properties), measurements in microgravity gas-jet flames have been less complete and, notably, have included only cursory velocity measurements. It is envisioned that our velocity measurements will fill an important gap in the understanding of nonbuoyant laminar jet flames.

Sunderland, P. B.↗

Single Crystal Diffuse Neutron Scattering

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. Here, we compare three different instruments that have been used by us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.

36 MATERIALS SCIENCE↗

Development and fabrication of a diffusion welded Columbium alloy heat exchanger

A Mini Brayton space power generation system required the development of a Columbium alloy heat exchanger to transfer heat from a radioisotope heat source to a He/Xe working fluid. A light-weight design featured the simultaneous diffusion welding of 148 longitudinal fins in an annular heat exchanger about 9-1/2 in. in diameter, 13-1/2 in. in length and 1/4 in. in radial thickness. To complete the heat exchanger, additional gas ducting elements and attachment supports were added by GTA welding in a vacuum-purged inert atmosphere welding chamber. The development required the modification of an existing large size hot isostatic press to achieve HIP capabilities of 2800 F and 10,000 psi for at least 3 hr. Excellent diffusion welds were achieved in a high-quality component which met all system requirements.

Zimmerman, W. F.↗

Time-of-flight modulated intensity small-angle neutron scattering measurement of the self-diffusion constant of water

We report that the modulated intensity by zero effort small-angle neutron scattering (MI-SANS) technique is used to measure scattering with a high energy resolution on samples normally ill-suited for neutron resonance spin echo. The self-diffusion constant of water is measured over a q–t range of 0.01–0.2 Å -1 and 70–500 ps. In addition to demonstrating the methodology of using time-of-flight MI-SANS instruments to observe diffusion in liquids, the results support previous measurements on water performed with different methods. This polarized neutron technique simultaneously measures the intermediate scattering function for a wide range of time and length scales. Two radio frequency flippers were used in a spin-echo setup with a 100 kHz frequency difference in order to create a high-resolution time measurement. The results are compared with self-diffusion measurements made by other techniques and the general applicability of MI-SANS at a pulsed source is assessed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Suppressing phase disproportionation in quasi-2D perovskite light-emitting diodes

Electroluminescence efficiencies and stabilities of quasi-two-dimensional halide perovskites are restricted by the formation of multiple-quantum-well structures with broad and uncontrollable phase distributions. Here, we report a ligand design strategy to substantially suppress diffusion-limited phase disproportionation, thereby enabling better phase control. We demonstrate that extending the π-conjugation length and increasing the cross-sectional area of the ligand enables perovskite thin films with dramatically suppressed ion transport, narrowed phase distributions, reduced defect densities, and enhanced radiative recombination efficiencies. Consequently, we achieved efficient and stable deep-red light-emitting diodes with a peak external quantum efficiency of 26.3% (average 22.9% among 70 devices and cross-checked) and a half-life of ~220 and 2.8 h under a constant current density of 0.1 and 12 mA/cm 2 , respectively. Our devices also exhibit wide wavelength tunability and improved spectral and phase stability compared with existing perovskite light-emitting diodes. These discoveries provide critical insights into the molecular design and crystallization kinetics of low-dimensional perovskite semiconductors for light-emitting devices.

14 SOLAR ENERGY↗

DNA molecules deviate from shortest trajectory when driven through hydrogel

Dynamic fluorescence-based single-molecule imaging of $λ$-DNA molecules driven through agarose hydrogels by DC electric fields reveals that passage through the hydrogel (98.5% water content) induces mobility orthogonal to the external field. Tortuous paths followed by the DNA molecules, which are heavily entangled in the hydrogel mesh as their contour length is nearly 100 times the hydrogel mesh size of 200 nm, cause them to appear to diffuse orthogonal to the driving force. The higher the driving field, from 2 to 16 V/cm, the higher the off-axis dispersion is, over the same time interval. In this work we measure the off-axis displacement distribution over 3 orders of magnitude of probability density and find a master curve after normalizing for time (t) elapsed, but the power of time for normalizing increases with the external field, from t 0.25 to t 0.6 with increasing field. Comparing trajectories over the same distance traveled in the electric field direction, we observe whereas for the highest field strengths DNA molecules come closest to taking the shortest trajectory between two points in space, deviations from the shortest trajectory grow larger and larger (up to 40% larger) as one approaches the case of small yet finite external field strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Helium bubble size effects on the surface morphological response of plasma-facing tungsten

Abstract We report a simulation study on the effects of helium (He) bubble size on the morphological evolution and pattern formation on the surface of tungsten used as a plasma-facing component (PFC) in nuclear fusion devices. We have carried out a systematic investigation based on self-consistent dynamical simulations of surface morphological evolution according to an atomistically-informed, 3D continuum-scale model that captures well the relevant length and time scales of surface nanostructure formation in PFC tungsten. The model accounts for PFC surface diffusion, driven by the biaxial compressive stress originating from the over-pressurized He bubbles in the near-surface region of PFC tungsten as a result of He plasma exposure, combined with the formation of self-interstitial atoms in tungsten that diffuse toward the PFC surface and the flux of surface adatoms generated as a result of surface vacancy-adatom pair formation upon He implantation; this transport of surface adatoms contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. Our detailed analysis reveals that varying the average He bubble size plays an important role in the PFC surface growth kinetics as well as the resulting surface topography. Specifically, we find that an increase in the He bubble size leads to a deceleration in the growth rate of the tungsten nanotendrils that emanate from the PFC surface. We also find that the separation distance between the resulting surface features increases with increasing He bubble size, as well as over time. This coarsening effect is a thermally activated process resulting in an accurate description of the temperature dependence of the average surface feature separation by an Arrhenius relation.

36 MATERIALS SCIENCE↗