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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Evaluation of a locally homogeneous model of spray evaporation

Measurements were conducted on an evaporating spray in a stagnant environment. The spray was formed using an air-atomizing injector to yield a Sauter mean diameter of the order of 30 microns. The region where evaporation occurred extended approximately 1 m from the injector for the test conditions. Profiles of mean velocity, temperature, composition, and drop size distribution, as well as velocity fluctuations and Reynolds stress, were measured. The results are compared with a locally homogeneous two-phase flow model which implies no velocity difference and thermodynamic equilibrium between the phases. The flow was represented by a k-epsilon-g turbulence model employing a clipped Gaussian probability density function for mixture fraction fluctuations. The model provides a good representation of earlier single-phase jet measurements, but generally overestimates the rate of development of the spray. Using the model predictions to represent conditions along the centerline of the spray, drop life-history calculations were conducted which indicate that these discrepancies are due to slip and loss of thermodynamic equilibrium between the phases.

Shearer, A. J.↗
DOE OSTI2020

Closed-form solutions towards real-time energy-optimal and collision-free speed planning with limited information

Under real-world driving conditions, available information is limited due to communication range, and connected and automated vehicles (CAVs) must plan and follow energy-optimal and collision-free speed trajectory with a high updating rate. To this end, this paper presents a holistic design of a speed planning algorithm using analytical closed-form optimal solutions. Using the simplest vehicle model, we derive closed-form solutions as a function of boundary conditions, and summarize them without and with state constraints imposed by speed limits and vehicle in front. Then, we introduce multiple modes (e.g., eco-approach to traffic signal) to properly respond dynamically changing situations, and present how to set boundary conditions for each mode, while guaranteeing nature of globally optimal solutions. Finally, we perform a large-scale simulation study to identify and quantify the energy impacts of CAVs for real-world driving routes. A simple but effective algorithm based on closed-form solutions shows a significant energy saving potential in comparison with human-driven vehicle and adaptive cruise controlled vehicle with connectivity.

Han, Jihun↗
NASA NTRS1981

Linear theory of tearing in a high-beta plasma

The linear dispersion relation for a collisionless plasma in a sheared one-dimensional current sheet is calculated with reference to conditions in the daytime magnetopause. Calculations are extended to include plasmas with beta approximately equal to 1. It is found that the tearing mode eigenstructure and temporal growth rate are a sensitive function of the ratios l sub s/l sub G, l sub s/l sub T, and l sub s/l sub n, where l sub s is the shearing length of the magnetic field, l sub G is the gradient scale length, and l sub T is the temperature gradient scale length. In particular, if beta is approximately equal to 1, and l sub s is less than l sub G, l sub n, and l sub T, then the thickness of the layer over which particles are resonantly accelerated by the induction magnetic field is approximately rho, a thermal gyroradius. If the above conditions are not satisfied, plasma gradients may electrostatically stabilize the mode.

Quest, K. B.↗
DOE OSTI2018

Ambient Electrosynthesis of Ammonia: Electrode Porosity and Composition Engineering

Ammonia, a key precursor for fertilizer production, convenient hydrogen carrier, and emerging clean fuel, plays a pivotal role in sustaining life on Earth. Currently, the main route for NH 3 synthesis is by the heterogeneous catalytic Haber–Bosch process (N 2 +3 H 2 →2 NH 3 ), which proceeds under extreme conditions of temperature and pressure with a very large carbon footprint. Herein we report that a pristine nitrogen–doped nanoporous graphitic carbon membrane (NCM) can electrochemically convert N 2 into NH 3 in an acidic aqueous solution under ambient conditions. The Faradaic efficiency and rate of production of NH 3 on the NCM electrode reach 5.2 % and 0.08 g m –2 h –1 , respectively. Functionalization of the NCM with Au nanoparticles dramatically enhances these performance metrics to 22 % and 0.36 gm –2 h –1 , respectively. In conclusion, as this system offers the potential to be scaled to industrial levels it is highly likely that it might displace the century-old Haber–Bosch process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

A new atmospheric pressure ionization (API) source, viz. UniSpray, was evaluated for mass spectrometry (MS) analysis of pharmaceutical compounds by head-to-head comparison with electrospray ionization (ESI) on the same high-resolution MS system. The atmospheric pressure ionization source is composed of a grounded nebulizer spraying onto a high voltage, cylindrical stainless steel target. Molecules are ionized in a similar fashion to electrospray ionization, predominantly producing protonated or deprotonated species. Adduct formation (e.g., proton and sodium adducts) and in-source fragmentation is shown to be almost identical between the two sources. The performance of the new API source was compared with electrospray by infusion of a mix of 22 pharmaceutical compounds with a wide variety of functional groups and physico-chemical properties (molecular weight, logP, and pKa) in more than 100 different conditions (mobile phase strength, solvents, pH, and flow rate). The new API source shows an intensity gain of a factor 2.2 compared with ESI considering all conditions on all compounds tested. Finally, some hypotheses on the ionization mechanism, similarities, and differences with ESI, are discussed. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Molecular Driving Force for Facet Selectivity of Sequence-Defined Amphiphilic Peptoids at Au–Water Interfaces

Shape-controlled colloidal nanocrystal syntheses often require facet-selective solution-phase chemical additives to regulate surface free energy, atom addition/migration fluxes or particle attachment rates. Because of their highly tunable properties and robustness to a wide range of experimental conditions, peptoids represent a very promising class of next generation functional additives for control over nanocrystal growth. However, understanding the origin of facet selectivity at the molecular level is critical to generalizing their design. In this work, we employ molecular dynamics simulations and biased sampling methods and report stronger selectivity to Au(111) than to Au(100) for Nce3Ncp6, a peptoid that has been shown to assist the formation of five-fold twinned Au nanostars. We find that facet-selectivity is achieved through synergistic effects of both peptoid-surface and solvent-surface interactions. Moreover, the amphiphilic nature of Nce3Ncp6 together with the order of peptoid-peptoid and peptoid-surface binding energies, i.e., peptoid-Au(100) < peptoid-peptoid < peptoid-Au(111), further amplifies its distinct collective behavior on different Au surfaces. Our studies provide a fundamental understanding of the molecular origin of facet-selective adsorption and highlight the possibility of future designs and uses of sequence-defined peptoids for predictive syntheses of nanocrystals with designed shapes and properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Development of Metallic Magnetic Calorimeters for Nuclear Safeguards Applications

Many nuclear safeguards applications could benefit from high-resolution gamma-ray spectroscopy achievable with metallic magnetic calorimeters. This dissertation covers the development of a system for these applications based on gamma-ray detectors developed at the University of Heidelberg. It demonstrates new calorimeters of this type, which achieved an energy resolution of 45.5 eV full-width at half-maximum at 59.54 keV, roughly ten times better than current state of the art high purity germanium detectors. This is the best energy resolution achieved with a gamma-ray metallic magnetic calorimeter at this energy to date. In addition to demonstrating a new benchmark in energy resolution, an experimental system for measuring samples with metallic magnetic calorimeters was constructed at Lawrence Livermore National Laboratory. This system achieved an energy resolution of 91.3 eV full-width at half-maximum at 59.54 keV under optimal conditions. Using this system it was possible to characterize the linearity of the response, the count-rate limitations, and the energy resolution as a function of temperature of the new calorimeter. With this characterization it was determined that it would be feasible to measure 242Pu in a mixed isotope plutonium sample. A measurement of a mixed isotope plutonium sample was performed over the course of 12 days with a single two-pixel metallic magnetic calorimeter. The relative concentration of 242Pu in comparison to other plutonium isotopes was determined by direct measurement to less than half a percent accuracy. This is comparable with the accuracy of the best-case scenario using traditional indirect methods. The ability to directly measure the relative concentration of 242Pu in a sample could enable more accurate accounting and detection of indications of undeclared activities in nuclear safeguards, a better constraint on source material in forensic samples containing plutonium, and improvements in verification in a future plutonium disposition treaty.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

Air Carbon for Algae Production (AirCAP) – Expanding algae resource potential via direct (in-pond) air-CO2 capture.

Microalgae biofuel production potential in the United States is constrained by a lack of suitable cultivation locations within a close proximity to CO2 point-sources. Initial estimates suggest that removing the requirement of a concentrated CO2 source expands resource potential ten-fold, allowing the projection of production levels that approach levels of current U.S. diesel consumption. Decoupling cultivation locations from concentrated CO2 point-sources requires direct capture of air-CO2 into the pond bulk at a rate sufficient to meet maximum expected carbon assimilation rates (10 g C/m2-day and higher). Enhancement of the ingassing rate via chemical reaction, the direct reaction of dissolved CO2 with hydroxide ions, has been proposed as a mechanism to increase the ingassing rate of air-CO2. The central objectives of this project are to validate whether chemically enhanced air-CO2 ingassing rates in large raceway ponds can meet or exceed the level required to support high levels of algae productivity, then subsequently identify alkaliphilic strains able to withstand such conditions while maintaining a biomass productivity that enables process economics. Full scale ponds (~1 acre, unlined) will be used to validate ingassing rates as a function of pH expected at scale in a series of abiotic experiments. To date, mass-transfer dynamics have been characterized in ponds ranging from 1 to 1,000 m2. Initial results will be presented describing the mass transfer coefficient in 1-acre (~4,000 m2), unlined ponds. The maximum expected carbon ingassing rate will be measured during ingassing trials, in which pond pH is displaced from equilibrium via the addition of a strong base, with the subsequent decrease in pH (and increase in dissolved inorganic carbon) corresponding to the air-CO2 absorption rate. A mass-transfer model, validated with experimental results, will be used to project ingassing rates expected at pond scales (10 acres) required for production of commodity chemicals.

09 BIOMASS FUELS↗
DOE OSTI2025

Development and evaluation of a new 4DEnVar-based weakly coupled ocean data assimilation system in E3SMv2

The development, implementation, and evaluation of a new weakly coupled ocean data assimilation (WCODA) system for the fully coupled Energy Exascale Earth System Model version 2 (E3SMv2) utilizing the four-dimensional ensemble variational (4DEnVar) method are presented in this study. The 4DEnVar method, based on the dimension-reduced projection four-dimensional variational (DRP-4DVar) approach, replaces the adjoint model with the ensemble technique, thereby reducing computational demands. Monthly mean ocean temperature and salinity data from the EN4.2.1 reanalysis are integrated into the ocean component of E3SMv2 from 1950 to 2021 with the goal of providing realistic initial conditions for decadal predictions and predictability studies. The performance of the WCODA system is assessed using various metrics, including the reduction rate of the cost function, root mean square error (RMSE) differences, correlation differences, and model biases. Results indicate that the WCODA system effectively assimilates the reanalysis data into the climate model, consistently achieving negative reduction rates of the cost function and notable improvements in RMSE and correlation across various ocean layers and regions. Significant enhancements are observed in the upper ocean layers across the majority of global ocean regions, particularly in the north Atlantic, north Pacific, and Indian Ocean. Model biases in sea surface temperature and salinity are also substantially reduced. For sea surface temperature, cold biases in the north Pacific and north Atlantic are diminished by about 1–2 °C, and warm biases in the Southern Ocean are corrected by approximately 1.5–2.5 °C. In terms of salinity, improvements are observed with bias reductions of about 0.5–1 psu in the north Atlantic and north Pacific and up to 1.5 psu in parts of the Southern Ocean. The ultimate goal of the WCODA system is to advance the predictive capabilities of E3SM for subseasonal to decadal climate predictions, thereby supporting research on strategic energy-sector policies and planning.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Quadrature solution for the general relativistic motion of a satellite or a planet.

The general relativistic motion of a particle in a bounded orbit around a central mass M is derived with the aid of the Schwarzschild field of M. A quadrature gives the central angle as a quasi-periodic function of an effective true anomaly. The mean rate of advance of the pericenter is investigated. Classical and general relativistic orbiters with the same initial conditions are compared, taking into account the treatment of the general relativistic effect by means of a differential correction. General relativistic variations are discussed, giving attention to the variation of the eccentric anomaly and the variation of the central angle.

Vinti, J. P.↗
NASA NTRS1982

Study of vapor flow into a capillary acquisition device

An analytical model was developed that prescribes the conditions for vapor flow through the window screen of a start basket. Several original submodels were developed as part of this model. The submodels interrelate such phenomena as the effect of internal evaporation of the liquid, the bubble point change of a screen in the presence of wicking, the conditions for drying out of a screen through a combination of evaporation and pressure difference, the vapor inflow rate across a wet screen as a function of pressure difference, and the effect on wicking of a difference between the static pressure of the liquid reservoir and the surrounding vapor. Most of these interrelations were verified by a series of separate effects tests, which were also used to determine certain empirical constants in the models. The equations of the model were solved numerically for typical start basket designs, and a simplified start basket was constructed to verify the predictions, using both volatile and nonvolatile test liquids. The test results verified the trends predicted by the model.

Dodge, F. T.↗
NASA NTRS1990

Perfusion Bioreactor Module

Perfusion bioreactor module, self-contained, closed-loop cell-culture system that operates in microgravity or on Earth. Equipment supports growth or long-term maintenance of cultures of human or other fragile cells for experiments in basic cell biology or process technology. Designed to support proliferation (initially at exponential rates of growth) of cells in complex growth medium and to maintain confluent cells in defined medium under conditions optimized to permit or encourage selected functions of cells, including secretion of products of cells into medium.

Morrison, Dennis R.↗
DOE OSTI2025

The influence of cooling rates on strain phase diagrams and domain structures of ferroelectric thin films: A case study of PbTiO 3

Strain engineering has been established as an effective approach to control phase equilibria, domain configurations, and functional properties of ferroelectric thin films. Temperature-strain phase diagrams have been used as powerful tools for providing insights into strain engineering. However, almost all existing phase diagrams established using the phase-field approach assume quenching conditions without considering actual cooling rates during the post-deposition annealing process of ferroelectric thin films. Within this work, we systematically investigate the influence of cooling rates on domain structures and the strain-phase diagram of ferroelectric thin films using phase-field simulations, taking PbTiO 3 thin films as a model system. We found that both the position of phase boundaries in the strain phase diagrams and the domain morphology are significantly influenced by the cooling rates. It is revealed that while the paraelectric-ferroelectric phase boundary remains invariant, the phase boundaries between single-phase and multi-phase regions tend to shift toward the corresponding multi-phase region as the cool rate reduces. Slow cooling generally leads to more ordered domain structures with increased domain size. Using the obtained equilibrium domain structures, we calculated effective thermal conductivities and found significant variations that can be tuned by the cooling rates. In conclusion, this work reveals an underexplored yet critical impact of cooling rates on phase equilibria and domain structures in ferroelectric thin films, which may inspire further fine-tuning of domains and domain walls in low-dimensional ferroelectrics for multifunctional applications.

Domain structures↗
NASA NTRS1988

Estimating residual fault hitting rates by recapture sampling

For the recapture debugging design introduced by Nayak (1988) the problem of estimating the hitting rates of the faults remaining in the system is considered. In the context of a conditional likelihood, moment estimators are derived and are shown to be asymptotically normal and fully efficient. Fixed sample properties of the moment estimators are compared, through simulation, with those of the conditional maximum likelihood estimators. Properties of the conditional model are investigated such as the asymptotic distribution of linear functions of the fault hitting frequencies and a representation of the full data vector in terms of a sequence of independent random vectors. It is assumed that the residual hitting rates follow a log linear rate model and that the testing process is truncated when the gaps between the detection of new errors exceed a fixed amount of time.

Lee, Larry↗
NASA NTRS1999

Spot Radiative Ignition and Subsequent Three Dimensional Flame Spread Over Thin Cellulose Fuels

Spontaneous radiative ignition and transition to flame spread over thin cellulose fuel samples was studied aboard the USMP-3 STS-75 Space Shuttle mission, and in three test series in the 10 second Japan Microgravity Center (JAMIC). A focused beam from a tungsten/halogen lamp was used to ignite the center of the fuel sample while an external air flow was varied from 0 to 10 cm/s. Non-piloted radiative ignition of the paper was found to occur more easily in microgravity than in normal gravity. Ignition of the sample was achieved under all conditions studied (shuttle cabin air, 21%-50% O2 in JAMIC), with transition to flame spread occurring for all but the lowest oxygen and flow conditions. While radiative ignition in a quiescent atmosphere was achieved, the flame quickly extinguished in air. The ignition delay time was proportional to the gas-phase mixing time, which is estimated using the inverse flow rate. The ignition delay was a much stronger function of flow at lower oxygen concentrations. After ignition, the flame initially spread only upstream, in a fan-shaped pattern. The fan angle increased with increasing external flow and oxygen concentration from zero angle (tunneling flame spread) at the limiting 0.5 cm/s external air flow, to 90 degrees (semicircular flame spread) for external flows at and above 5 cm/s, and higher oxygen concentrations. The fan angle was shown to be directly related to the limiting air flow velocity. Despite the convective heating from the upstream flame, the downstream flame was inhibited due to the 'oxygen shadow' of the upstream flame for the air flow conditions studied. Downstream flame spread rates in air, measured after upstream flame spread was complete and extinguished, were slower than upstream flame spread rates at the same flow. The quench regime for the transition to flame spread was skewed toward the downstream, due to the augmenting role of diffusion for opposed flow flame spread, versus the canceling effect of diffusion at very low cocurrent flows.

Olson, Sandra L.↗
NASA NTRS1982

Airfoil deposition model

The methodology to predict deposit evolution (deposition rate and subsequent flow of liquid deposits) as a function of fuel and air impurity content and relevant aerodynamic parameters for turbine airfoils is developed in this research. The spectrum of deposition conditions encountered in gas turbine operations includes the mechanisms of vapor deposition, small particle deposition with thermophoresis, and larger particle deposition with inertial effects. The focus is on using a simplified version of the comprehensive multicomponent vapor diffusion formalism to make deposition predictions for: (1) simple geometry collectors; and (2) gas turbine blade shapes, including both developing laminar and turbulent boundary layers. For the gas turbine blade the insights developed in previous programs are being combined with heat and mass transfer coefficient calculations using the STAN 5 boundary layer code to predict vapor deposition rates and corresponding liquid layer thicknesses on turbine blades. A computer program is being written which utilizes the local values of the calculated deposition rate and skin friction to calculate the increment in liquid condensate layer growth along a collector surface.

Kohl, F. J.↗
DOE OSTI2019

Crossing the bridge from molecular catalysis to a heterogenous electrode in electrocatalytic water oxidation

Significant progress has been made in designing single-site molecular Ru(II)-polypyridyl-aqua catalysts for homogenous catalytic water oxidation. Surface binding and transfer of the catalytic reactivity onto conductive substrates provides a basis for heterogeneous applications in electrolytic cells and dye-sensitized photoelectrosynthesis cells (DSPECs). Earlier efforts have focused on phosphonic acid (-PO 3 H 2 ) or carboxylic acid (-CO 2 H) bindings on oxide surfaces. However, issues remain with limited surface stabilities, especially in aqueous solutions at higher pH under conditions that favor water oxidation by reducing the thermodynamic barrier and accelerating the catalytic rate using atom-proton transfer (APT) pathways. Here, we address the problem by combining silane surface functionalization and surface reductive electropolymerization on mesoporous, nanofilms of indium tin oxide (ITO) on fluorine-doped tin oxide (FTO) substrates (FTO| nano ITO). FTO| nano ITO electrodes were functionalized with vinyltrimethoxysilane (VTMS) to introduce vinyl groups on the electrode surfaces by silane attachment, followed by surface electropolymerization of the vinyl-derivatized complex, [Ru II (Mebimpy)(dvbpy)(OH 2 )] 2+ (1 2+ ; Mebimpy: 2,6-bis(1-methyl-1 H -benzo[ d ]imidazol-2-yl)pyridine; dvbpy: 5,5'-divinyl-2,2'-bipyridine), in a mechanism dominated by a grafting-through method. The surface coverage of catalyst 1 2+ was controlled by the number of electropolymerization cycles. The combined silane attachment/cross-linked polymer network stabilized 1 2+ on the electrode surface under a variety of conditions especially at pH > ~6. Surface-grafted poly1 2+ was stable toward redox cycling at pH ~ 7.5 over an ~4-h period. Finally, sustained heterogeneous electrocatalytic water oxidation by the electrode gave steady-state currents for at least ~6 h with a Faradaic efficiency of ~68% for O 2 production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Electron Mobility and Trapping in Ferrihydrite Nanoparticles

Iron is the most abundant transition metal in the Earth's crust, and naturally occurring iron oxide minerals play a commanding role in environmental redox reactions. Although iron oxide redox reactions are well studied, their precise mechanisms are not fully understood. Recent work has shown that these involve electron transfer pathways within the solid, suggesting that overall reaction rates could be dependent on electron mobility. Initial ultrafast spectroscopy studies of iron oxide nanoparticles sensitized by fluorescein derivatives supported a model for electron mobility based on polaronic hopping of electron charge carriers between iron sites, but the constitutive relationships between hopping mobilities and interfacial charge transfer processes has remained obscured. We developed a coarse-grained lattice Monte Carlo model to simulate the collective mobilities and lifetimes of these photoinjected electrons with respect to recombination with adsorbed dye molecules for the essential nanophase ferrihydrite, and tested predictions made by the simulations using pump-probe spectroscopy. We acquired optical transient absorption spectra as a function of particle size and under a variety of solution conditions, and used cryogenic transmission electron microscopy to determine the aggregation state of the nanoparticles. We observed biphasic electron recombination kinetics over timescales that spanned picoseconds to microseconds, the slower regime of which was fit with a stretched exponential decay function. The recombination rates were weakly affected by nanoparticle size and aggregation state, suspension pH, and the injection of multiple electrons per nanoparticle. We conclude that electron mobility indeed limits the rate of interfacial electron transfer in these systems with the slowest processes relating to escape from deep traps, the presence of which outweighs the influence of environmental factors such as pH-dependent surface charge.

77 NANOSCIENCE AND NANOTECHNOLOGY↗