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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 73 records · Page 4

Comparison of a Full-Scale and a 1:10 Scale Low-Speed Two-Stroke Marine Engine Using Computational Fluid Dynamics

International marine shipping is a growing component of international trade; a vast majority of all the world’s goods are being transported on large ocean-going vessels. The International Maritime Organization (IMO) introduced the Energy Efficiency Design Index in 2013, a regulatory framework of associated metrics for reducing emissions of CO 2 per tonne-mile from shipping by approximately 10% each decade. Therefore, decarbonizing the maritime sector requires the development of new fuel sources. Because of the extremely large physical size of the internal combustion engines present in shipping vessels, experimental iterative development of the engine and fuel system is cost-prohibitive. Thus, the ability to perform combustion system development in a scaled platform that can be more easily operated and modeled computationally is of interest. To that end, scaling relationships are needed to translate the results from a smaller engine to a larger counterpart. Scaling studies to date have been restricted to low scaling ratios, four-stroke light-duty engines, and under-resolved computational fluid dynamic simulations that likely do not accurately capture the physics of scaling. In this work, computational models of a 1:10 scale and a full-scale two-stroke crosshead low-speed marine engine were created and validated against experiments obtained in a real 1:10 scale engine installed at Oak Ridge National Laboratory. Further, due to the large size of the full-scale engine, the model required large high-performance computing resources to be evaluated. The availability of high-performance computing resources at the Department of Energy’s Leadership Computing Facilities is an enabler of the current work. The results of the small- and large-scale engine simulations were compared to analyze the effectiveness of the appropriate scaling laws under these extreme scaling ratio conditions.

33 ADVANCED PROPULSION SYSTEMS↗

Experimental Investigation and Analysis of an Annular Pogo Accumulator

An experimental investigation was conducted on a scaled annular pogo accumulator for the Ares I Upper Stage. The test article was representative of the LO2 feedline and preliminary accumulator design, and included multiple designs of a perforated ring connecting the accumulator to the core feedline flow. The system was pulse tested in water over a range of pulse frequency and flow rates. Time dependent measurements of pressure at various locations in the test article were used to extract system compliance, inertance, and resistance. Preliminary results indicated a significant deviation from standard orifice flow theory and suggest a strong dependence on feedline average velocity. In addition, several CFD analyses were conducted to investigate the details of the time variant flow field. Both two-dimensional and three-dimensional simulations were performed with time varying boundary conditions used to represent system pulsing. The CFD results compared well with the sub-scale results and demonstrated the influence of feedline average velocity on the flow into and out of the accumulator. This paper presents updated results of the investigation including a parametric design space for determining resistance characteristics. Using the updated experimental results a new scaling relationship has been defined for shear flow over a cavity. A comparison of sub-scale and full scale CFD simulations provided early verification of the scaling of the fluid flowfield and resistance characteristics.

Peugeot, John↗

The role of specimen size and grain boundary characteristics in the yield strength of tungsten in microtensile tests

To effectively use the measured properties from small-scale tensile tests for bulk material performance predictions, it is essential to understand the threshold of specimen size-effect strengthening and the interaction between dislocations and microstructures within miniaturized specimens. This study uses pure tungsten to investigate the size effect in terms of specimen size, grain size, and grain boundary characteristics relative to the yield strength of tungsten at room temperature. We evaluate the transition from miniaturized specimen properties to bulk properties and the deformation behavior through small-scale tensile tests of three specimen sizes (large: 80 × 100 × 233 µm³; medium: 7 × 7 × 18 µm³; and small: 2 × 2 × 5 µm³). The testing results reveal that the small and medium specimens exhibit high yield strength with ductile behavior, while the large specimens exhibit brittle failure, consistent with the room temperature strength of tungsten, indicating bulk behavior. We further explore the specimen size-effect sensitivity to yield stress and the scaling relationship between yield strength and the number of grains involved in the deformation. A power-law relationship with the exponent value of approximately -0.5 was found in the yield strength–grain number scaling, implying the Hall-Petch like behavior. A minimum of 7–17 effective grain boundaries across the tensile gauge dimension is required to accurately measure bulk properties.

36 - MATERIALS SCIENCE↗

Relationships between particle precipitation and auroral forms

The paper discusses recent measurements pertaining to the relationship between high-latitude particle (electron) precipitation and auroras. The discussion covers three topics: the large-scale relationships between auroral forms and the particle populations of the magnetosphere as determined from satellite measurements; (2) the relationship between satellite and sounding-rocket observations, particularly field-aligned pitch-angle distributions and upward field-aligned currents measured in the vicinity of auroral forms; and (3) recent results on the interaction of auroral electrons with the atmosphere.

Burch, J. L.↗

Multi-Scale Microfluidics for Transport in Shale Fabric

We develop a microfluidic experimental platform to study solute transport in multi-scale fracture networks with a disparity of spatial scales ranging between two and five orders of magnitude. Using the experimental scaling relationship observed in Marcellus shales between fracture aperture and frequency, the microfluidic design of the fracture network spans all length scales from the micron (1 μ) to the dm (10 dm). This intentional `tyranny of scales’ in the design, a determining feature of shale fabric, introduces unique complexities during microchip fabrication, microfluidic flow-through experiments, imaging, data acquisition and interpretation. Here, we establish best practices to achieve a reliable experimental protocol, critical for reproducible studies involving multi-scale physical micromodels spanning from the Darcy- to the pore-scale (dm to μm). With this protocol, two fracture networks are created: a macrofracture network with fracture apertures between 5 and 500 μm and a microfracture network with fracture apertures between 1 and 500 μm. The latter includes the addition of 1 μm ‘microfractures’, at a bearing of 55°, to the backbone of the former. Comparative analysis of the breakthrough curves measured at corresponding locations along primary, secondary and tertiary fractures in both models allows one to assess the scale and the conditions at which microfractures may impact passive transport.

58 GEOSCIENCES↗

The Significance of the 'Insignificant': Non-covalent Interactions in CO 2 Reduction Reactions with 3C-TM (TM=Sc-Zn) Single-Atom Catalysts

With energy shortages and excessive CO 2 emissions driving climate change, converting CO 2 into high-value-added products offers a promising solution for carbon recycling. We investigate CO 2 reduction reactions (CO2RR) catalyzed by 10 single-atom catalysts (SACs), incorporating weak non-covalent interactions, specifically lone pair-π and H-π interactions. The SACs, consisting of transition metals coordinated by three carbon atoms in a defective graphene substrate (3C-TM, TM=Sc-Zn), leverage these interactions to influence the energy fluctuations of intermediates and the limiting potentials of CO 2 RR, without altering the overall reaction pathway. Further, our findings show that SACs based on early transition metals (Sc, Ti, V, Cr) can serve as catalysts for C 1 products, including HCOOH, HCHO, CH 3 OH, and CH 4 , while those based on Fe and Co are suitable for CO formation. Driving force analysis helps bridge theoretical results with experimental observations and propose a modified approach for assessing hydrogen evolution reactions (HER) competition. SACs based on Ni and Cu exhibit moderate HER tolerance, while early transition metals excel in selective CO 2 reduction. We also identify a linear scaling relationship between the free energies of *COOH and *CO. This study offers valuable insights for future experimental studies and large-scale computational screenings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crustal permeability generated through microearthquakes is constrained by seismic moment

We link changes in crustal permeability to informative features of microearthquakes (MEQs) using two field hydraulic stimulation experiments where both MEQs and permeability evolution are recorded simultaneously. The Bidirectional Long Short-Term Memory (Bi-LSTM) model effectively predicts permeability evolution and ultimate permeability increase. Our findings confirm the form of key features linking the MEQs to permeability, offering mechanistically consistent interpretations of this association. Transfer learning correctly predicts permeability evolution of one experiment from a model trained on an alternate dataset and locale, which further reinforces the innate interdependency of permeability-to-seismicity. Models representing permeability evolution on reactivated fractures in both shear and tension suggest scaling relationships in which changes in permeability (Δk) are linearly related to the seismic moment (M) of individual MEQs as Δk ∝ M. This scaling relation rationalizes our observation of the permeability-to-seismicity linkage, contributes to its predictive robustness and accentuates its potential in characterizing crustal permeability evolution using MEQs.

15 GEOTHERMAL ENERGY↗

Toward quantum Monte Carlo forces on heavier ions: Scaling properties

Quantum Monte Carlo (QMC) forces have been studied extensively in recent decades because of their importance with spectroscopic observables and geometry optimization. Here, we benchmark the accuracy and computational cost of QMC forces. The zero-variance zero-bias (ZVZB) force estimator is used in standard variational and diffusion Monte Carlo simulations with mean-field based trial wavefunctions and atomic pseudopotentials. Statistical force uncertainties are obtained with a recently developed regression technique for heavy tailed QMC data [P. Lopez Rios and G. J. Conduit, Phys. Rev. E 99, 063312 (2019)]. By considering selected atoms and dimers with elements ranging from H to Zn (1 ≤ Z eff ≤ 20), we assess the accuracy and the computational cost of ZVZB forces as the effective pseudopotential valence charge, Z eff , increases. We find that the costs of QMC energies and forces approximately follow simple power laws in Zeff. The force uncertainty grows more rapidly, leading to a best case cost scaling relationship of approximately Z e ff 6.5 ( 3 ) for diffusion Monte Carlo. We find that the accessible system size at fixed computational cost scales as Z e ff − 2 , insensitive to model assumptions or the use of the “space warp” variance-reduction technique. Our results predict the practical cost of obtaining forces for a range of materials, such as transition metal oxides where QMC forces have yet to be applied, and underscore the importance of further developing force variance-reduction techniques, particularly for atoms with high Z eff .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model and full-scale large transport airframe noise

Results are presented for an airframe noise experiment intended to obtain airframe noise data of a 0.03-scale model of a large transport aircraft in a flow facility for comparison with similar airframe noise data from full-scale flyover tests of the same aircraft. The test model simulated the landing and cruise configuration, including individual flap systems. Considerable noise is found to be associated with the extension of the model's leading edge flap system and to be reduced across the noise spectra when the gaps between the leading-edge flaps and the leading edge of the wing are sealed. Amplitude and frequency scaling relationships are developed which correlate respective data for a variety of aircraft configurations. Normalized model landing gear noise failed to simulate full-scale data.

Shearin, J. G.↗

Aerodynamics of Seeing on Large Transport Aircraft

Efforts were undertaken to obtain a set of data that examined the level of turbulence and the scale sizes in the shear layer existing over the fence quieted cavity on the NASA-Ames Kuiper Airborne Observatory (KAO). These data were to be taken during the present study and compared with data taken from previous wind tunnel experiments, for which both aerodynamic and direct optical measurements were made. The data obtained during the present study were presented and discussed in light of their impact on the quality of optical images, that is, seeing through the shear layer. In addition, scaling relationships were presented that allow optical data obtained in one aerodynamic environment to be estimated for another one at perhaps different Mach numbers, scale sizes, or aircraft configurations.

Rose, William C.↗

Chemically Separable Ruthenium Hydride Isomers with Distinct Hydride Transfer Properties

Transition metal hydrides are key intermediates in biological and industrial catalysis, where control over hydride donor ability (hydricity) is essential for optimizing reactivity. Herein, we report a series of isomeric ruthenium hydrides in which the ligand trans to the ruthenium hydride bond–either an N-heterocyclic carbene or pyridine–modulates the thermodynamic hydricity by up to 8 kcal mol –1 . These hydrides exhibited distinct reactivity toward CO 2 and various organic hydride acceptors, enabling detailed kinetic and mechanistic analysis. Stopped-flow experiments, isotopic labeling, and computational studies supported an outer-sphere hydride transfer mechanism. Linear free energy relationships (LFERs) and Marcus relationships were utilized to correlate the changes in thermodynamics and kinetics, revealing that ligands with strong trans effects and trans influence can disrupt conventional scaling relationships, which can be a powerful strategy for promoting new reactivity paradigms in hydride transfer reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Non-linear hydrologic organization

We revisit three variants of the well-known Stommel diagrams that have been used to summarize knowledge of characteristic scales in time and space of some important hydrologic phenomena and modified these diagrams focusing on spatiotemporal scaling analyses of the underlying hydrologic processes. In the present paper we focus on soil formation, vegetation growth, and drainage network organization. We use existing scaling relationships for vegetation growth and soil formation, both of which refer to the same fundamental length and timescales defining flow rates at the pore scale but different powers of the power law relating time and space. The principle of a hierarchical organization of optimal subsurface flow paths could underlie both root lateral spread (RLS) of vegetation and drainage basin organization. To assess the applicability of scaling, and to extend the Stommel diagrams, data for soil depth, vegetation root lateral spread, and drainage basin length have been accessed. The new data considered here include timescales out to 150 Myr that correspond to depths of up to 240 m and horizontal length scales up to 6400 km and probe the limits of drainage basin development in time, depth, and horizontal extent.

58 GEOSCIENCES↗

X-Ray Variability of ULXs and the Mass of NGC 5408 X-1

Several of the brightest ULXs now have detections of characteristic variability timescales in the X-ray; including quasiperiodic oscillation and power spectral break frequencies. The best example at present is NGC5408 X-1, which has shown X-ray timing and spectral behavior closely analogous to that observed in Galactic, stellar mass black holes, but at systematically higher luminosities and longer timescales. I will present recent XMM-Newton observations of X-1 that reveal a QPO frequency -- spectral index relationship consistent with that seen in stellar-mass black hole systems of known mass. I will show that extension of the frequency -- spectral index scaling relationship from the stellar-mass systems to X-1 suggests that it harbors an intermediate mass black hole. I will also present the results of regular, ongoing monitoring of X-1 with Swift, including the discovery of an 113 day periodicity that is likely the orbital period of the black hole binary.

Strohmayer, Todd↗

Acoustic loads on upper-surface-blown powered-lift systems

Powered-lift concepts are utilized in aircraft currently under development for STOL application. One of the concepts, upper surface blowing, places the jet exit just above the upper surface of the wing to produce powered lift from the jet exhaust blowing over the deflected flap. New data are presented to show the effects of airspeed, angle of attack, and angle of jet impingement. Scaling relationships are investigated concerning their applicability for extrapolating data to a different model size. The effects of a number of test parameters are examined and full-scale spectra are predicted from model data. It is concluded that scale models are an effective means for obtaining fluctuating pressure spectra for use in aircraft design. The prediction of full-scale loads from model data will require geometrically accurate models and closely spaced measurement locations.

Willis, C. M.↗

Universal method for the optimization of HDC coating uniformity on non-planar, non-stationary substrates for inertial confinement fusion targets

The thickness uniformity of chemical vapor deposited (CVD) diamond coatings on non-planar, non-stationary substrates depends on both the intrinsic instantaneous coating thickness distribution (ICTD) of the coating conditions used and, if applicable, on the frequency of substrate reorientation. While important for many CVD diamond applications, the relative impact of the ICTD and substrate reorientation on the coating thickness uniformity has not been studied. In this work, we systematically investigate the effect of these factors for microwave-plasma chemical vapor deposition (MPCVD) of diamond (referred to as high density carbon (HDC) in the inertial confinement fusion (ICF) community) coatings on spherical, rolling substrates. This coating technique is used to fabricate capsules for ICF experiments, which require extreme coating uniformity with <0.3 % thickness variation (so-called Mode 1 or M1) to ensure symmetric compression of imploding targets. To extract the otherwise unobservable reorientation timescale (Δt), Monte Carlo simulations were performed using experimental ICTD data as input. This combined approach confirms scaling relationships between the substrate reorientation timescale as well as coating thickness and coating uniformity, as expected from a 3D random walk. Simulations confirm that M1 is Rayleigh-distributed and scales as (Δt) 1/2 , consistent with the randomization of two angles that determine orientation of a sphere. We also demonstrate that, under the conditions studied, Δt is the dominant factor in determining thickness uniformity while the intrinsic ICTD has minimal impact. Finally, experiments show that Δt can be affected by total batch size under constant agitation conditions due to space constraints that limit the capsule reorientation kinetics. In conclusion, this study highlights the utility of a combined experiment-simulation approach as a general methodology for understanding and improving coating uniformity on non-planar, non-stationary substrates.

Capsule↗

Plankton energy flows using a global size-structured and trait-based model

Plankton community models are critical tools for understanding the processes that shape marine plankton communities, how plankton communities impact biogeochemical cycles, and the feedbacks between community structure and function. Here, using the flexible Marine Biogeochemistry Library (MARBL), we present the Size-based Plankton ECological TRAits (MARBL-SPECTRA) model, which is designed to represent a diverse plankton community while remaining computationally tractable. MARBL-SPECTRA is composed of nine phytoplankton and six zooplankton size classes represented using allometric scaling relationships for physiological traits and interactions within multiple functional types. MARBL-SPECTRA is embedded within the global ocean component of the Community Earth System Model (CESM) and simulates large-scale, emergent patterns in phytoplankton growth limitation, plankton phenology, plankton generation time, and trophic transfer efficiency. The model qualitatively reproduces observed global patterns of surface nutrients, chlorophyll biomass, net primary production, and the biogeographies of a range of plankton size classes. In addition, the model simulates how predator:prey dynamics and trophic efficiency vary across gradients in total ecosystem productivity. Shorter food chains that export proportionally more carbon from the surface to the ocean interior occur in productive, eutrophic regions, whereas in oligotrophic regions, the food chains are relatively long and export less organic matter from the surface. The union of functional type modeling with size-resolved, trait-based modeling approaches allows MARBL-SPECTRA to capture both large-scale elemental cycles and the structure of planktonic food webs affecting trophic transfer efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

Aerodynamics of seeing on large transport aircraft

Data were obtained in the full scale flight environment of the Kuiper Airborne Observatory (KAO) on the nature of turbulent shear layer over the open cavity. These data were used to verify proposed aerodynamic scaling relationships to describe the behavior of the turbulent layers and to estimate the optical performance of systems of various wavelengths operating within the KAO environment. These data and wind tunnel data are used to scale the expected optical effects for a potential stratospheric observatory for infrared astronomy (SOFIA) in which a telescope approximately 3.5 times larger than that on the KAO is envisioned. It appears that the use of combinations of active and passive aeromechanical flow control techniques can improve the optical behavior of systems in the SOFIA environment. Experiments to verify these potential improvements can be performed on the KAO with sufficient modifications to the cavity and aero-mechanical technique installations.

Rose, W. C.↗

Peptide Control of Electrocatalyst Surface Environment and Catalyst Structure: A Design Platform to Enable Mechanistic Understanding and Synthesis of Active and Selective N2 Reduction Catalysts

Low-temperature electrochemical ammonia synthesis with heterogeneous catalysts suffers from extremely low Faradaic efficiencies (< 1%). The hydrogen evolution reaction (HER) is predicted and experimentally demonstrated to outcompete the nitrogen reduction reaction (N2RR). Meanwhile, the nitrogenase enzymes found in nature enable selective N2RR at Fe/Mo metal centers. Montoya and co-authors suggest that a successful transition metal N2RR catalyst will deviate from or completely circumvent current linear scaling relationships. We propose an approach where short-chain peptides (3-20 amino acids) will be used to control the local surface environment of catalysts. This peptide-based design strategy will be used to overcome HER selectivity and the limitations of *NxHy adsorbate scaling.

08 HYDROGEN↗