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NASA NTRS2005

In Situ Electrochemical Deposition of Microscopic Wires

A method of fabrication of wires having micron and submicron dimensions is built around electrochemical deposition of the wires in their final positions between electrodes in integrated circuits or other devices in which the wires are to be used. Heretofore, nanowires have been fabricated by a variety of techniques characterized by low degrees of controllability and low throughput rates, and it has been necessary to align and electrically connect the wires in their final positions by use of sophisticated equipment in expensive and tedious post-growth assembly processes. The present method is more economical, offers higher yields, enables control of wire widths, and eliminates the need for post-growth assembly. The wires fabricated by this method could be used as simple electrical conductors or as transducers in sensors. Depending upon electrodeposition conditions and the compositions of the electroplating solutions in specific applications, the wires could be made of metals, alloys, metal oxides, semiconductors, or electrically conductive polymers. In this method, one uses fabrication processes that are standard in the semiconductor industry. These include cleaning, dry etching, low-pressure chemical vapor deposition, lithography, dielectric deposition, electron-beam lithography, and metallization processes as well as the electrochemical deposition process used to form the wires. In a typical case of fabrication of a circuit that includes electrodes between which microscopic wires are to be formed on a silicon substrate, the fabrication processes follow a standard sequence until just before the fabrication of the microscopic wires. Then, by use of a thermal SiO-deposition technique, the electrodes and the substrate surface areas in the gaps between them are covered with SiO. Next, the SiO is electron-beam patterned, then reactive-ion etched to form channels having specified widths (typically about 1 m or less) that define the widths of the wires to be formed. Drops of an electroplating solution are placed on the substrate in the regions containing the channels thus formed, then the wires are electrodeposited from the solution onto the exposed portions of the electrodes and into the channels. The electrodeposition is a room-temperature, atmospheric-pressure process. The figure shows an example of palladium wires that were electrodeposited into 1-mm-wide channels between gold electrodes.

Yun, Minhee↗

NASA NTRS2014

Increase of Ozone Concentrations, Its Temperature Sensitivity and the Precursor Factor in South China

Concerns have been raised about the possible connections between the local and regional photochemical problem and global warming. The current study assesses the trend of ozone in Hong Kong and the Pearl River Delta (PRD) in South China and investigates the interannual changes of sensitivity of ozone to air temperature, as well as the trends in regional precursors. Results reveal, at the three monitoring sites from the mid-1990s to 2010, an increase in the mean ozone concentrations from 1.0 to 1.6 microgram m(exp -3) per year. The increase occurred in all seasons, with the highest rate in autumn. This is consistent with trends and temperature anomalies in the region. The increase in the sensitivity of ozone to temperature is clearly evident from the correlation between ozone (OMI [Ozone Monitoring Instrument] column amount) and surface air temperature (from the Atmospheric Infrared Sounder) displayed in the correlation maps for the PRD during the prominently high ozone period of July September. It is observed to have increased from 2005 to 2010, the latter being the hottest year on record globally. To verify this temporal change in sensitivity, the ground-level trends of correlation coefficients/regression slopes are analysed. As expected, results reveal a statistically significant upward trend over a 14-year period (19972010). While the correlation revealed in the correlation maps is in agreement with the corresponding OMI ozone maps when juxtaposed, temperature sensitivity of surface ozone also shows an association with ozone concentration, with R0.5. These characteristics of ozone sensitivity are believed to have adverse implications for the region. As shown by ground measurements and/or satellite analyses, the decrease in nitrogen oxides (NO2) and NO(sub x) in Hong Kong is not statistically significant whileNO2 of thePRD has only very slightly changed. However, carbon dioxide has remarkably declined in the whole region. While these observations concerning precursors do not seem to adequately support an increasing ozone trend, measured surface levels of formaldehyde, a proxy for volatile organic compound (VOC) emissions, have risen significantly in the PRD (20042010). Hence, the reactive VOCs in the PRD are likely to be the main culprit for the increase of ozone, as far as precursors are concerned. Despite the prevailing problem, model simulations suggest prospects for improvement in the future.

South China↗

NASA NTRS2017

Arc Jet Test and Analysis of Asbestos Free Solid Rocket Motor Nozzle Dome Ablative Materials

Asbestos free solid motor internal insulation samples were recently tested at the MSFC Hyperthermal Arc Jet Facility. Objectives of the test were to gather data for solid rocket motor analog characterization of ablative and in-depth thermal performance of rubber materials subject to high enthalpy/pressure flow conditions. Tests were conducted over a range of convective heat fluxes for both inert and chemically reactive sub-sonic free stream gas flow. Active instrumentation included use of total calorimeters, in-depth thermocouples, and a surface pyrometer for in-situ surface temperature measurement. Post-test sample forensics involved determination of eroded depth, charred depth, total sample weight loss, and documentation of the general condition of the eroded profile. A complete Charring Material Ablator (CMA) style aero thermal analysis was conducted for the test matrix and results compared to the measured data. In general, comparisons were possible for a number of the cases and the results show a limited predictive ability to model accurately both the ablative response and the in-depth temperature profiles. Lessons learned and modeling recommendations are made regarding future testing and modeling improvements that will increase understanding of the basic chemistry/physics associated with the complicated material ablation process of rubber materials.

Clayton, J. Louie↗

NASA NTRS1985

Suppression of Marangoni Convection in Float Zones

The basic purpose of this program is to demonstrate by means of an Earth-based 1-g experiment that the undesirable Marangoni (surface tension) convection can be suppressed or significantly reduced by means of gas jets directed tangentially to the free surface of the liquid in a float zone. These jets will establish the tangential shear stress field over the surface which must be adjusted to equal the counter-stress resultant of the Marangoni shear stress which causes the convection. For proposed materials processing in space (o-g), particularly of important, highly reactive semiconductor materials, e.g., silicon, microgravity will virtually eliminate the unwanted thermal-buoyancy convection in the liquid silicon, but will have no effect in reducing the Marangoni convection. Unless this can be sufficiently suppressed by other means, there may be no significant advantages to the proposed space processing of reactive semiconductors. Although some inert gas such as argon must be used for the corrosive liquid silicon, the Earth-based experiment uses air jets and various transparent oils, since the basic principle involved is the same. The first float zone is enclosed in a very small rectangular box with a quasi-planar free surface. Stable Marangoni convection has been achieved and velocities measured photographically. The air jet system with variable velocity and temperature is under construction. Three independent parameters must be optimized to attain maximum suppression: the gas velocity, angle of attack, and gas temperature.

Dressler, R. F.↗

NASA NTRSDate not supplied

Machine-Learned Committor Functions for Reactive Molecular Dynamics

Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.

polymer simulations↗

NASA NTRS2023

Lunar Dust Mitigation: A Guide and Reference: First Edition (2021)

On the surface of the Moon, lunar dust specifically presents unique challenges to operations long-term due to regolith particles’ ubiquitous presence in the lunar environment, potential to electrostatically charge and possible chemical reactivity. Whether to avoid exposure, try to remove or simply to tolerate lunar dust infiltrating a system becomes a complex question involving length of required service life, dust effects and critical risks, mass and complexity trades for the entire system. This publication provides a snapshot of advice from topical experts for specific areas of concern to systems targeted for deployment on the lunar surface. Following introductory overview commentary, dust mitigation approaches appropriate to the lunar surface are first addressed for typically static structures such as optical surfaces, radiators, and other thermal control surfaces, followed by regolith exposure concerns for communications equipment and non-optical sensors. The broad topic of mechanisms and mechanical assemblies is broken down to address relevant component level concerns, such as for bearings and for seals. “Soft goods” components of space suits (fabric) specific concerns are discussed, followed finally by brief coverage of human health issues and concerns, though the emphasis of this publication remains with components directly exposed to the harsh lunar surface environment. A description of some lunar surface hazard details, in particular characteristics of lunar surface dust, follows in Appendix A, and more detailed explanations of quantification issues for particulates are in Appendix B. The simple inertial removal of particles from a surface is discussed in Appendix C, followed by a summary of terrestrial best practices for dust mitigation recommended within select industries in Appendix D. The aggregated bibliography of references, while extensive and very useful, should not be construed to be exhaustive and can serve as a constructive start.

dust↗

NASA NTRS1975

Finite-rate chemistry effects upon convective and radiative heating of an atmospheric entry vehicle

A mathematical model of the aerothermochemical environment along the stagnation line of a planetary return spacecraft using an ablative thermal protection system was developed and solved for conditions typical of atmospheric entry from planetary missions. The model, implemented as a FORTRAN 4 computer program, was designed to predict viscous, reactive and radiative coupled shock layer structure and the resulting body heating rates. The analysis includes flow field coupling with the ablator surface, binary diffusion, coupled line and continuum radiative and equilibrium or finite rate chemistry effects. The gas model used includes thermodynamic, transport, kinetic and radiative properties of air and ablation product species, including 19 chemical species and 16 chemical reactions. Specifically, the impact of nonequilibrium chemistry effects upon stagnation line shock layer structure and body heating rates was investigated.

Guillermo, P.↗

NASA NTRS1992

Calculations of ion-molecule deuterium fractionation reactions involving HD

Gas-phase chemical models of deuterium fractionation in dense interstellar clouds utilize a small number of exothermic reactions to achieve fractionation. Although HD is a major repository of deuterium, it appears not to exchange deuterium with many molecular ions. Useful semiquantitative reasons have been given for the unusual lack of reactivity of exothermic ion-HD deuterium exchange systems, but quantum chemical studies are needed to understand these ideas in more detail and to determine if the lack of reactivity pertains at very low temperatures not studied in the laboratory, or whether tunneling can drive the reactions. Accordingly, the potential energy surfaces of three representative ion-molecule exchange reactions involving protonated ions and HD have been investigated with ab initio quantum chemical techniques. Our results generally confirm the semiquantitative picture as to which reactions are likely to occur and show that tunneling at low temperatures is unlikely to alter this picture.

Maluendes, Sergio A.↗

NASA NTRS2000

Chemisorption and Diffusion of H on a Graphene Sheet and Single-Wall Carbon Nanotubes

Recent experiments on hydrogen storage in single wall nanotubes and nanotube bundles have reported large fractional weight of stored molecular hydrogen which are not in agreement with theoretical estimates based of simulation of hydrogen storage by physisorption mechanisms. Hydrogen storage in catalytically doped nanotube bundles indicate that atomic H might undergo chemisorption changing the basic nature of the storage mechanism under investigation by many groups. Using a generalized tight-binding molecular dynamics (GTBMD) method for reactive C-H dynamics, we investigate chemisorption and diffusion of atomic H on graphene sheet and C nanotubes. Effective potential energy surfaces (EPS) for chemisorption and diffusion are calculated for graphene sheet and nanotubes of different curvatures. Analysis of the activation barriers and quantum rate constants, computed via wave-packet dynamics method, will be discussed in this presentation.

Srivastava, Deepak↗

NASA NTRS2004

Multi-Functional, Micro Electromechanical Silicon Carbide Accelerometer

A method of bulk manufacturing SiC sensors is disclosed and claimed. Materials other than SiC may be used as the substrate material. Sensors requiring that the SiC substrate be pierced are also disclosed and claimed. A process flow reversal is employed whereby the metallization is applied first before the recesses are etched into or through the wafer. Aluminum is deposited on the entire planar surface of the metallization. Photoresist is spun onto the substantially planar surface of the Aluminum which is subsequently masked (and developed and removed). Unwanted Aluminum is etched with aqueous TMAH and subsequently the metallization is dry etched. Photoresist is spun onto the still substantially planar surface of Aluminum and oxide and then masked (and developed and removed) leaving the unimidized photoresist behind. Next, ITO is applied over the still substantially planar surface of Aluminum, oxide and unimidized photoresist. Unimidized and exposed photoresist and ITO directly above it are removed with Acetone. Next, deep reactive ion etching attacks exposed oxide not protected by ITO. Finally, hot phosphoric acid removes the Al and ITO enabling wires to connect with the metallization. The back side of the SiS wafer may be also etched.

Robert S Okojie↗

NASA NTRS2004

Multi-functional micro electromechanical devices and method of bulk manufacturing same

Okojie, Robert S.↗

NASA NTRS2010

Test Results from a Direct Drive Gas Reactor Simulator Coupled to a Brayton Power Conversion Unit

Component level testing of power conversion units proposed for use in fission surface power systems has typically been done using relatively simple electric heaters for thermal input. These heaters do not adequately represent the geometry or response of proposed reactors. As testing of fission surface power systems transitions from the component level to the system level it becomes necessary to more accurately replicate these reactors using reactor simulators. The Direct Drive Gas-Brayton Power Conversion Unit test activity at the NASA Glenn Research Center integrates a reactor simulator with an existing Brayton test rig. The response of the reactor simulator to a change in Brayton shaft speed is shown as well as the response of the Brayton to an insertion of reactivity, corresponding to a drum reconfiguration. The lessons learned from these tests can be used to improve the design of future reactor simulators which can be used in system level fission surface power tests.

Hervol, David S.↗

NASA NTRS1993

Drop dynamics in space and interference with acoustic field (M-15)

The objective of the experiment is to study contactless positioning of liquid drops, excitation of capillary waves on the surface of acoustically levitated liquid drops, and deformation of liquid drops by means of acoustic radiation pressure. Contactless positioning technologies are very important in space materials processing because the melt is processed without contacting the wall of a crucible which can easily contaminate the melt specifically for high melting temperatures and chemically reactive materials. Among the contactless positioning technologies, an acoustic technology is especially important for materials unsusceptible to electromagnetic fields such as glasses and ceramics. The shape of a levitated liquid drop in the weightless condition is determined by its surface tension and the internal and external pressure distribution. If the surface temperature is constant and there exist neither internal nor external pressure perturbations, the levitated liquid drop forms a shape of perfect sphere. If temperature gradients on the surface and internal or external pressure perturbations exist, the liquid drop forms various modes of shapes with proper vibrations. A rotating liquid drop was specifically studied not only as a classical problem of theoretical mechanics to describe the shapes of the planets of the solar system, as well as their arrangement, but it is also more a contemporary problem of modern non-linear mechanics. In the experiment, we are expecting to observe various shapes of a liquid drop such as cocoon, tri-lobed, tetropod, multi-lobed, and doughnut.

Yamanaka, Tatsuo↗

NASA NTRS1991

A conformal oxidation-resistant, plasma-polymerized coating

A comparative study was made of the surface recession (etching) of thin films of plasma polymerized tetrafluoro ethylene (PPTFE), polytetrafluoro ethylene (PTFE), and ion-beam sputter deposited polytetrafluoro ethylene (SPTFE) exposed to ground-state atomic oxygen downstream from a nonequilibrium radio-frequency O2 plasma. At 22 C, the etch rates for PTFE, SPTFE, and PPTFE were in the ratio of 8.7:1.8:1.0. A thin, conformal coating of PPTFE (etch rate of 0.3 nm/h at 22 C) was found to protect an underlying cast film of a reactive polymer, cis-1,4 polybutadiene, against ground-state atomic oxygen attack for the time required to fully etch away the PPTFE coating. From ESCA analysis, PTFE exhibited only minor surface oxidation (uptake of 0.5 atom percent O) upon etching, its F/C ratio decreasing slightly from 2.00 to 1.97; PPTFE exhibited considerable surface oxidation (uptake of 5.9 atom percent O) intermediate between those of PTFE and PPTFE, with a decrease in F/C ratio from 1.73 to 1.67. A plasma-polymerized fluorocarbon coating such as PPTFE might be useful for space applications to protect polymers that are vulnerable to oxidation or degradation by oxygen atoms.

Golub, Morton A.↗

NASA NTRS1994

The gradient of meteorological and chemical variables across the tropopause

The downward transport of air through the tropopause can bring substantial amounts of ozone and reactive nitrogen into the upper troposphere. In this cold region of the atmosphere, O3 is particularly effective as a greenhouse gas. As part of the North Dakota Thunderstorm Project in June 1989, the NCAR Sabreliner made five flights through the tropopause. We measured ozone, nitric oxide (NO), total reactive nitrogen (NO(y)), carbon monoxide (CO), and water vapor (H2)), and took grab samples for hydrocarbon (HC) analysis. Hydrocarbons, CO, and H2O, species with sources primarily at the earth's surface, showed a strong concentration decrease with increasing altitude, while O3 and NO(y), species with a source in the stratosphere, showed a strong concentration increase with increasing altitude. Stratospheric concentrations of NO(x), NO(y), and H2O were all high relative to winter observations made during NASA's AASE. We suggest that midlatitude thunderstorms may inject wet, NO-rich air into the lower stratosphere. Calculation based on measured ratios of NO(x) and NO(y) to O3 yield a total flux of reactive nitrogen from the Northern Hemisphere stratosphere into the troposphere of 1 to 2 Tg(N) yr(exp -1) with about 8 percent in the form of NO(x). This value is higher than reported estimates of total stratospheric nitrogen fixation.

Dickerson, Russell R.↗

NASA NTRS1972

Problems affecting the fidelity of pressure measuring instruments for planetary probes

Determination is made of the nature and magnitude of surface-related effects that cause errors in pressure measuring instruments, with special reference being made to instruments intended for use in planetary probes. The interaction of gases with clean surfaces of metals likely to be used as gage construction materials was studied. Special emphasis was placed on the adsorption, chemical reaction, and electron-induced desorption processes. The results indicated that all metals tested were subject to surface processes which would degrade gage fidelity. It was also found, however, that the formation of inert adsorbed layers on these metal surfaces, such as carbon on platinum, greatly reduced or eliminated these effects. This process, combined with a system design which avoids contact between reactive gases and hot filaments, appears to offer the most promising solution to the gage fidelity problem.

Hudson, J. B.↗

NASA NTRS1974

Interaction of gases with lunar materials

Quantitative efforts to assess the surface properties of lunar fines, particularly water induced porosity are discussed. Data show that: (1) changes induced in lunar fines are not visible in high energy electron micrographs, (2) scanning micrographs show no change in particle size distribution as a result of reaction with water, (3) water induced changes are internal to the particles themselves, (4) normal laboratory atmosphere blocks alteration reaction with water, and (5) surface properties of mature lunar soils appear to be almost independent of chemical composition and mineralogy, but there are some variations in their reactivity toward water.

Holmes, H. F.↗

NASA NTRS1976

Introductory study of the chemical behavior of jet emissions in photochemical smog

Jet aircraft emissions data from the literature were used as initial conditions for a series of computer simulations of photochemical smog formation in static air. The chemical kinetics mechanism used in these simulations was an updated version which contains certain parameters designed to account for hydrocarbon reactivity. These parameters were varied to simulate the reaction rate constants and average carbon numbers associated with the jet emissions. The roles of surface effects, variable light sources, NO/NO2 ratio, continuous emissions, and untested mechanistic parameters were also assessed. The results of these calculations indicate that the present jet emissions are capable of producing oxidant by themselves. The hydrocarbon/nitrous oxides ratio of present jet aircraft emissions is much higher than that of automobiles. These two ratios appear to bracket the hydrocarbon/nitrous oxides ratio that maximizes ozone production. Hence an enhanced effect is seen in the simulation when jet exhaust emissions are mixed with automobile emissions.

Whitten, G. Z.↗