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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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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Exploring New Science Domains with Atom Probe Tomography Enabled by an Environmental Transfer Hub

The liquid/solid and gas/solid interface represents a rich scientific and technological frontier for discovery and innovation in many areas of science. However, the direct nano- to atomic-scale characterization of these interfaces is technically challenging within broad range of analytical tools that require high to ultrahigh vacuum conditions. This challenge has been largely addressed within the electron microscopy (EM) community through the development of unique specimen holders and differentially-pumped vacuum systems that allow researchers to probe, in situ, liquid/solid and gas/solid interfaces using electron probes [1]. However, the direct application of APT to liquid/solid and gas/solid interfaces is not possible and requires the development of unique specimen preparation and handling of cryogenically-frozen specimens and/or work with specimens under environmentally-protected conditions. At PNNL, we have developed unique suite of hardware and experimental protocols for the preparation and handling of environmentally-sensitive materials centered around the combination of a unique environmental transfer hub, specimen suitcase device, and modified cryo FIB/SEM capabilities (Fig. 1a) [2-3]. The ability to prepare, manipulate, and transfer specimens under either cryogenic or vacuum conditions thus provides a means to uniquely apply APT analysis to a wide variety of material systems that would not be possible otherwise. Here we describe some specific examples, shown in Figure 1b, of APT analysis applied to temperature sensitive material systems requiring cryo specimen preparation and transfer, as well as air sensitive materials systems requiring vacuum or inert vacuum transfer.

Cryo atom probe tomography, Atom Probe, cryogenic ↗
NASA NTRS1996

Extinguishment of a Diffusion Flame Over a PMMA Cylinder by Depressurization in Reduced-Gravity

Extinction of a diffusion flame burning over horizontal PMMA (Polymethyl methacrylate) cylinders in low-gravity was examined experimentally and via numerical simulations. Low-gravity conditions were obtained using the NASA Lewis Research Center's reduced-gravity aircraft. The effects of velocity and pressure on the visible flame were examined. The flammability of the burning solid was examined as a function of pressure and the solid-phase centerline temperature. As the solid temperature increased, the extinction pressure decreased, and with a centerline temperature of 525 K, the flame was sustained to 0.1 atmospheres before extinguishing. The numerical simulation iteratively coupled a two-dimensional quasi-steady, gas-phase model with a transient solid-phase model which included conductive heat transfer and surface regression. This model employed an energy balance at the gas/solid interface that included the energy conducted by the gas-phase to the gas/solid interface, Arrhenius pyrolysis kinetics, surface radiation, and the energy conducted into the solid. The ratio of the solid and gas-phase conductive fluxes Phi was a boundary condition for the gas-phase model at the solid-surface. Initial simulations modeled conditions similar to the low-gravity experiments and predicted low-pressure extinction limits consistent with the experimental limits. Other simulations examined the effects of velocity, depressurization rate and Phi on extinction.

Goldmeer, Jeffrey Scott↗
NASA NTRS2004

Transition from Forward Smoldering to Flaming in Small Polyurethane Foam Samples

Experimental observations are presented of the effect of the flow velocity and oxygen concentration, and of a thermal radiant flux, on the transition from smoldering to flaming in forward smoldering of small samples of polyurethane foam with a gas/solid interface. The experiments are part of a project studying the transition from smolder to flaming under conditions encountered in spacecraft facilities, i.e., microgravity, low velocity variable oxygen concentration flows. Because the microgravity experiments are planned for the International Space Station, the foam samples had to be limited in size for safety and launch mass reasons. The feasible sample size is too small for smolder to self propagate because of heat losses to the surrounding environment. Thus, the smolder propagation and the transition to flaming had to be assisted by reducing the heat losses to the surroundings and increasing the oxygen concentration. The experiments are conducted with small parallelepiped samples vertically placed in a wind tunnel. Three of the sample lateral-sides are maintained at elevated temperature and the fourth side is exposed to an upward flow and to a radiant flux. It is found that decreasing the flow velocity and increasing its oxygen concentration, and/or increasing the radiant flux enhances the transition to flaming, and reduces the delay time to transition. Limiting external ambient conditions for the transition to flaming are reported for the present experimental set-up. The results show that smolder propagation and the transition to flaming can occur in relatively small fuel samples if the external conditions are appropriate. The results also indicate that transition to flaming occurs in the char left behind by the smolder reaction, and it has the characteristics of a gas-phase ignition induced by the smolder reaction, which acts as the source of both gaseous fuel and heat.

Bar-Ilan, A.↗
DOE OSTI2023

Neutron Scattering (NS) Spectroscopy

A wide range of advanced experimental methods has been used in catalysis science to understand chemical transformations at molecular level. Among these, neutron scattering not only gives catalytic information that is highly complementary to other microscopic scattering techniques such as electrons (microscopy and diffraction) and photons from visible light to synchrotron X-rays but also often provides unique insights into catalysis. This chapter aims to provide a general overview of neutron scattering and its applications for heterogeneous catalysis, emphasizing chemistry at the gas/solid interface. It starts with an introduction to the theory of neutron scattering, with pros and cons for catalyst research, followed by a description of three main neutron scattering techniques: neutron diffraction (ND), inelastic neutron spectroscopy (INS), and quasi-elastic neutron scattering (QENS). It includes recent applications in each technique and then a short introduction of other neutron techniques that are less frequently used in the catalysis field. It ends with a summary and a future outlook.

Braatz, Jisue↗
DOE OSTI2022

Probing the initial stages of iron surface corrosion: Effect of O 2 and H 2 O on surface carbonation

Iron plays a vital role in natural processes such as water, mineral, iron, and nutrient cycles. Iron undergoes reduction-oxidation and catalytic reactions to produce various corrosion films depending on its chemical environment. Near ambient pressure X-ray photoelectron spectroscopy, polarized modulated infrared reflection absorption spectroscopy, and Auger electron spectroscopy were used to study the key reactants, from O 2 (g), H 2 O vapor, Na + and Cl – on the initial stages of iron surface corrosion. Here, with increasing the ratio of O 2 and H 2 O, surface hydrocarbons were shown to oxidize into carbonates, while the Cl – was found to migrate into the interface. The effect of each individual reactant was measured separately and water was shown to have a first order rate dependence on the carbonate growth at low pressures, with little dependence for O 2 . Near ambient pressures, both H 2 O and O 2 were found to increase the carbonate growth, which was estimated using the Langmuir isotherm model, yielding Gibbs energies between –9.8 to –8.5 kJ/mol. A mechanism is suggested to explain the oxidation is catalyzed by NaCl on iron surfaces and the adventitious hydrocarbons served as the source for surface carbonation. These findings have implications for understanding other surface catalytic and redox interface chemistry in complex environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Kinetically versus thermodynamically controlled factors governing elementary pathways of GaP(111) surface oxidation

GaP and related III-V semiconductors have attracted interest as high-efficiency photoelectrochemical electrodes for solar water splitting. However, their efficacy is linked to the presence, identity, and integrity of native surface oxides, which are structurally and chemically complex and evolve during operation. Using ambient pressure X-ray photoelectron spectroscopy (APXPS) coupled with ab initio simulations, we track key chemical motifs expressed during evolution of GaP(111) surface oxides, their associated reaction kinetics, and their correlations with electronic properties. We identify two distinct thermal regimes corresponding to kinetically and thermodynamically controlled oxidation. Below 600 K, exposure to O2 generates kinetically facile Ga-O-Ga configurations, whereas higher temperatures cause activated oxygen to insert into Ga–P bonds as part of a thermodynamically driven transformation into a complex, heterogeneous 3D network of surface POx (1≤x ≤ 4) groups and Ga2O3 species, the latter of which eventually dominates upon depletion of surface phosphorus. Here our study highlights the critical competition between kinetic and thermodynamic factors during GaP oxidation, yielding insights for fabricating stable III-P-based photoelectrodes with precisely engineered surface properties.

08 HYDROGEN↗
DOE OSTI2025

Oxygen Atom Transfer Reactions of Colloidal Metal Oxide Nanoparticles

Redox transformations at metal oxide (MO x )/solution interfaces are broadly important, and oxygen atom transfer (OAT) is one of the simplest and most fundamental examples of such reactivity. OAT is a two-electron transfer process, well-known in gas/solid reactions and catalysis. However, OAT is rarely directly observed at oxide/water interfaces, whose redox reactions are typically proposed to occur in one-electron steps. Reported here are stoichiometric OAT reactions of organic molecules with aqueous colloidal titanium dioxide and iridium oxide nanoparticles (TiO 2 and IrO x NPs). Me 2 SO (DMSO) oxidizes reduced TiO 2 NPs with the formation of Me 2 S, and IrO x NPs transfer O atoms to a water-soluble phosphine and a thioether. The reaction stoichiometries were established and the chemical mechanisms were probed using typical solution spectroscopic techniques, exploiting the high surface areas and transparency of the colloids. Furthermore, these OAT reactions, including a catalytic example, utilize the ability of the individual NPs to accumulate many electrons and/or holes. Observing OAT reactions of two different materials, in opposite directions, is a step toward harnessing oxide nanoparticles for valuable multi-electron and multi-hole transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗