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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

An improved semi-global intrinsic kinetics model for high temperature carbon oxidation

Measurements of the oxidation rates of various forms of carbon (soot, graphite, coal char) have often shown an unexplained attenuation with increasing temperatures in the vicinity of 2000 K, even when accounting for diffusional transport limitations and gas-phase chemical effects (e.g. CO 2 dissociation). With the development of oxy-fuel combustion approaches for pulverized coal utilization with carbon capture, high particle temperatures are readily achieved in sufficiently oxygen-enriched environments. Here, in this work, a new semi-global intrinsic kinetics model for high temperature carbon oxidation is created by starting with a previously developed 5-step mechanism that was shown to reproduce all major known trends in carbon oxidation, except for its high temperature kinetic falloff, and incorporating a recently discovered surface oxide decomposition step. The predictions of this new model are benchmarked by deploying the kinetic model in a steady-state reacting particle code (SKIPPY) and comparing the simulated results against a carefully measured set of pulverized coal char combustion temperature measurements over a wide range of oxygen concentrations in N 2 and CO 2 environments. The results show that the inclusion of the spontaneous surface oxide decomposition reaction step significantly improves predictions at high particle temperatures. Furthermore, the simulations reveal that O atoms released from the oxide decomposition step enhance the radical pool in the near-surface region and within the particle interior itself. Incorporation of literature rates for O and OH reactions with the carbon surface results in a reduction in the predicted radical pool concentrations and a very minor enhancement of the overall carbon oxidation rate.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1977

Method of treating the surface of a glass member

A method is described of treating a surface of a glass member intended to abut a transparent element for disrupting the light interference fringes formed between the surfaces. The method involves the steps of grinding the surface to form irregularities thereon; bathing the surface with an aqueous solution containing between substantially 41.3 percent and 45.7 percent by volume of sulfuric acid and between substantially 54.3 percent and 58.7 percent by volume of hydrofluoric acid for a time sufficient to polish the irregularities until the glass member is about 90 percent light transmissive; and washing the glass member with a liquid having a temperature substantially lower than the temperature of the aqueous solution for preventing further reaction between the aqueous solution and the surface.

Rice, S. H.↗
DOE OSTI2025

Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling

Methane activation on stepped Ni(511) surfaces involves the rearrangement of surface atoms as the chemical reaction proceeds. This process is particularly sensitive to temperature. Using machine-learned interatomic potentials (MLIPs) coupled with enhanced sampling techniques, we investigate the activation of methane under realistic operando conditions. Our analysis reveals that methane dissociation occurs predominantly at step-edge nickel atoms. As CH x (where x = 3 or 4) species bind to additional surface nickel atoms, their reduced mobility leads to entropic penalties that suppress certain configurations and transition states. This is reflected in the underlying free energy surfaces, where configurations such as methyl binding to hollow sites and activation routes involving two nickel atoms become unfavorable as temperature increases. At elevated temperatures, methane activation extends from step-edge sites to terrace regions because of reduced free-energy barriers and enhanced surface dynamics. By decomposing the free-energy into enthalpic and entropic contributions, we uncover temperature-dependent shifts in the preferences of methane for the relevant active sites and arrive at a detailed molecular picture of methane activation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Insect abatement system

An insect abatement system prevents adhesion of insect debris to surfaces which must be kept substantially free of insect debris. An article is coated with an insect abatement coating comprising polyorganosiloxane with a Shore A hardness of less than 50 and a tensile strength of less than 4 MPa. A method for preventing the adhesion of insect debris to surfaces includes the step of applying an insect abatement coating to a surface which must be kept substantially free of insect debris.

Spiro, Clifford Lawrence↗
NASA NTRS1974

Trapping of hydrogen atoms in X-irradiated salts at room temperature and the decay kinetics

The salts (hypophosphites, formates, a phosphite, a phosphate, and an oxalate) were X-irradiated, whereby hydrogen formed chemically by a radiolytic process becomes trapped in the solid. By room temperature vacuum extraction, the kinetics for the evolution of this trapped hydrogen was studied mass spectrometrically. All salts except two exhibited second-order kinetics. The two exceptions (NaH2PO2(H2O) and K2HPO4) showed first-order kinetics. Based on experimental results, the escape of hydrogen involves three steps: the diffusion of hydrogen atoms from the bulk to the surface, association of these atoms on the surface (rate controlling step for second-order hydrogen evolution), and the desorption of molecular hydrogen from the surface. The hydrogen does not escape if the irradiated salt is stored in air, apparently because adsorbed air molecules occupy surface sites required in the escape mechanism.

May, C. E.↗
NASA NTRSDate not supplied

Implementing Geometric Surface Imperfections into Sandwich Composite Cylinder Finite Element Method Models

The buckling responses of certain cylindrical shell structures are extremely sensitive to geometric surface imperfections. The NASA Engineering and Safety Center (NESC) Shell Buckling Knockdown Factor Project (SBKF) is conducting research to develop analysis-based buckling design recommendations. Experiments are used to verify the analysis-based factors, but the sensitivity of the test articles to geometric imperfections requires implementing as-manufactured imperfections into high-fidelity finite element method models. Data collection methods such as structured light scanning are used for all geometric surface data used in this work. Common preprocessing and visualization steps used in SBKF are discussed, and steps on how surface scans are prepared for implementation into a finite element model is described. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS), written specifically for the use with SBKF, is briefly described and uses eight functions to extract, modify, and write geometric imperfections into Abaqus input files. Results of the pre-processing methods and results from Py_TIGIRS are provided and compared for Composite Test Article (CTA) 8.2B. Excellent agreement between the visualized scan data and the FEM-extracted geometry is demonstrated. A brief example of why geometric surface imperfections are significant in nonlinear numerical analyses for thin cylinders in axial compression is provided as motivation to use tools such as Py_TIGIRS. Future development of Py_TIGIRS including expansion to structures of arbitrary geometry is planned.

Sandwich structures↗
NASA NTRSDate not supplied

Implementing Geometric Surface Imperfections into Sandwich Composite Cylinder Finite Element Method Models

The buckling responses of certain cylindrical shell structures are extremely sensitive to geometric imperfections. The NASA Engineering and Safety Center (NESC) Shell Buckling Knockdown Factor Project (SBKF) is conducting research to develop analysis-based buckling design recommendations. Experiments are used to verify the analysis-based factors, but the sensitivity of the test articles to geometric imperfections requires implementing as-manufactured imperfections into high-fidelity finite element method (FEM) models. Geometry measurement methods such as structured light scanning are used for all geometric surface data used in this work. Common preprocessing and visualization steps used in SBKF are discussed, and steps of how surface scans are prepared for implementation into a finite element model is described. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS), written specifically for the use with SBKF, is briefly described and uses eight functions to extract, modify, and write geometric imperfections into Abaqus input files. Results of the preprocessing methods and results from Py_TIGIRS are provided and compared for Composite Test Articles (CTA) 8.2, 8.2B, and 8.3. Excellent agreement between the visualized scan data and the FEM-extracted geometry is demonstrated. A brief example of why geometric surface imperfections are significant in nonlinear numerical analyses for thin cylinders in axial compression is provided as motivation to use tools such as Py_TIGIRS. Future developments of Py_TIGIRS including expansion to structures of arbitrary geometry is planned.

Geometric imperfections↗
NASA NTRSDate not supplied

Implementing Geometric Surface Imperfections into Sandwich Composite Cylinder Finite Element Method Models

The buckling responses of certain cylindrical shell structures are extremely sensitive to geometric imperfections. The NASA Engineering and Safety Center (NESC) Shell Buckling Knockdown Factor Project (SBKF) is conducting research to develop analysis-based buckling design recommendations. Experiments are used to verify the analysis-based factors, but the sensitivity of the test articles to geometric imperfections requires implementing as-manufactured imperfections into high-fidelity finite element method (FEM) models. Geometry measurement methods such as structured light scanning are used for all geometric surface data used in this work. Common preprocessing and visualization steps used in SBKF are discussed, and steps of how surface scans are prepared for implementation into a finite element model is described. The Python Tool for Implementing Geometric Imperfections in Reduced Structures (Py_TIGIRS), written specifically for the use with SBKF, is briefly described and uses eight functions to extract, modify, and write geometric imperfections into Abaqus input files. Results of the preprocessing methods and results from Py_TIGIRS are provided and compared for Composite Test Articles (CTA) 8.2, 8.2B, and 8.3. Excellent agreement between the visualized scan data and the FEM-extracted geometry is demonstrated. A brief example of why geometric surface imperfections are significant in nonlinear numerical analyses for thin cylinders in axial compression is provided as motivation to use tools such as Py_TIGIRS. Future developments of Py_TIGIRS including expansion to structures of arbitrary geometry is planned.

Geometric imperfections↗
NASA NTRS1993

Mesur Pathfinder: Steps Toward U.S. Return To The Surface Of Mars

The Mars Environmental Survey (MESUR) project has been established to deliver and emplace a network of small landers on Mars. A key requisite for this mission is the development of a low cost, simple, robust delivery system for payloads to the Martian surface.

Mars↗
NASA NTRS1973

Enhanced diffusion welding

Surfaces of unrecrystallized alloys are sanded and polished. This is followed by a two-step welding process by which the strength of the parent metal is retained at the weld joint. The first step forces the surfaces into intimate contact at a temperature where the metal still has good ductility. The second step causes diffusion, recrystallization, and grain growth across the original weld interface.

Holko, K. H.↗
NASA NTRS2002

Best Practices In Overset Grid Generation

Grid generation for overset grids on complex geometry can be divided into four main steps: geometry processing, surface grid generation, volume grid generation and domain connectivity. For each of these steps, the procedures currently practiced by experienced users are described. Typical problems encountered are also highlighted and discussed. Most of the guidelines are derived from experience on a variety of problems including space launch and return vehicles, subsonic transports with propulsion and high lift devices, supersonic vehicles, rotorcraft vehicles, and turbomachinery.

Chan, William M.↗
NASA NTRS2003

Dissipating Step Bunches during Crystallization under Transport Control

In studies of crystal formation by the generation and spreading of layers, equidistant step trains are considered unstable---bunches and other spatiotemporal patterns of the growth steps are viewed as ubiquitous. We provide an example to the opposite. We monitor the spatiotemporal dynamics of steps and the resulting step patterns during crystallization of the proteins ferritin and apoferritin using the atomic force microscope. The variations in step velocity and density are not correlated, indicating the lack of a long-range attraction between the steps. We show that (i) because of its coupling to bulk transport, nucleation of new layers is chaotic and occurs at the facet edges, where the interfacial supersaturation is higher; (ii) step bunches self-organize via the competition for supply from the solution; and, (iii) bunches of weakly interacting steps decay as they move along the face. Tests by numerical modeling support the conclusions about the mechanisms underlying our observations. The results from these systems suggest that during crystallization controlled by transport, with weakly or noninteracting growth steps, the stable kinetic state of the surface is an equidistant step train, and step bunches only arise during nucleation of new layers. Since nucleation only occurs at a few sites on the surface, the surface morphology may be controllably patterned or smoothened by locally controlling nucleation.

Lin, Hong↗
NASA NTRS1998

The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

Schall, Constance A.↗
NASA NTRS1987

Factors affecting the sticking of insects on modified aircraft wings

Past studies have shown that the surface energy of a polymer coating has an important effect on the sticking of insects to the surface. However, mechanical properties of polymer coatings such as elasticity may also be important. A further study is suggested using polymer coatings of known surface energy and modulus so that a better understanding of the mechanism of the sticking of insects to surfaces can be achieved. As the first step for the study, surface analysis and road tests were performed using elastomers having different energies and different moduli. The number of insects sticking to each elastomer was counted and compared from sample to sample and with a control (aluminum). An average height moment was also calculated and comparisons made between samples.

Yi, O.↗
NASA NTRS1993

Martian surface simulations

Computer generated surfaces have been created to aid in imaging, landing and rover studies for Mars and the moon. They are also being applied to the study of cratering histories. The surfaces are generated in steps which attempt to mimic geologic episodes. Surface roughness is realized fractally, while craters and other specific features have shapes and distributions dictated by observation. Surface materials are assigned appropriate albedos, making the images more realistic. With the inclusion of correlations between crater and rock distributions, the simulations are beginning to acquire a predictive capability.

Gaskell, Robert W.↗