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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 145 records · Page 8

A computational approach to complex junctions and interfaces

Molecular- and nano- junctions, surfaces, interfaces, and interfacial processes have been the subjects of this DOE supported program for about 20 years. We have investigated electronic and magnetic structure, spin-dependent charge transport, and emerging phenomena at surfaces and interfaces in a number of physical systems ranging from nano-clusters, to nanowires, to two-dimensional (2D) crystals and their interactions, to bulk matter. Eighty-four refereed papers were published [1-84], with a majority effort from the group led by the PI, and over a hundred presentations were made at international conferences. We use first-principles methods in the framework of density functional theory in conjunction with nano-equilibrium Green function techniques, semi-empirical Boltzmann transport theory, tight-binding models, and the Hubbard model and many-body wavefunction approaches. In pursuing our scientific goals, we have also developed a number of computational algorithms and computational packages.

2D materials↗

An Overview of Plume-Surface Interaction Testing and Research

NASA has studied rocket plume-surface interactions caused by spacecraft since the Apollo era to reduce risk to landing vehicles. The study of plume-surface interactions is a multi-discipline effort, spanning aerospace engineering to planetary science. Historical testing for Apollo and Viking produced methods, terms, and datasets that influence the field today. Research conducted over the past two decades has expanded our understanding of plume-surface interaction phenomena, but the problem remains resistant to a robust predictive capability. Contemporary experimental and modeling efforts to understand and retire strategic knowledge gaps will be discussed, with a focus on work conducted under NASA’s Plume-Surface Interaction Project and the upcoming Human Landing System Plume-Surface Interaction Risk Reduction Ground Test.

Wesley A Chambers↗

Fluid Dynamics Effects on Microstructure Prediction in Single-Laser Tracks for Additive Manufacturing of IN625

Single-track laser fusion were simulated using a heat-transfer-solidification-only (HTS) model and its extension with fluid dynamics (HTS_FD) model using a parallel open-source code, which included laminar fluid dynamics, flat-free surface of the molten alloy, heat transfer, phase-change, evaporation, and surface tension phenomena. The results illustrate that the fluid dynamics affects the solidification and ensuing microstructure. For the HTS_FD simulations, thermal gradient, G was found to exhibit a maximum at the extremity of the solidified pool ( i.e. , at the free surface), while for HTS simulations, G exhibited a maximum around the entire edge of the solidified pool. HTS_FD simulations predicted a wider range of cooling rates than the HTS simulations, exhibited an increased spread in the solidification speed, V variation within the melt-pool with respect to the HTS model results. Primary dendrite arm spacing (PDAS) were evaluated based on power law correlations and marginal stability theory models using the ( G , V ) from HTS and HTS_FD simulations to quantify the effect of the fluid dynamics on the microstructure. At low-laser powers and low-scan speeds, the PDAS obtained with the fluid dynamics model (HTS_FD) was larger by more than 30 pct with respect to the PDAS calculated with the simple HTS model. A new PDAS correlation, i.e. , \( \lambda_{1} \left[ {\mu {\text{m}}} \right] = 832\;G\left[ {\text{K/m}} \right]^{ - 0.5} V\left[ {\text{m/s}} \right]^{ - 0.25} \) , which uses the ( G , V ) results from the HTS_FD model was developed and validated against experimental results.

36 MATERIALS SCIENCE↗

Antifouling strategies for protecting bioelectronic devices

Bioelectronic devices are playing an increasingly important role in many areas of our lives. They power a significant portion of medical diagnostics and are becoming more and more important for delivery of therapeutics and monitoring of chronic symptoms. However, surface fouling phenomena, and especially biofouling in complex biological fluids, restricts the performance of these devices and severely reduces their useful lifespan. In this Research Update, we discuss the main principles and strategies that researchers use to prevent fouling and minimize or remove the foulants from bioelectronic device surfaces. We also survey a variety of antifouling approaches that can enhance device performance.

36 MATERIALS SCIENCE↗

Rarefied Aerothermodynamic Predictions for Mars Global Surveyor

Mars Global Surveyor (MGS) successfully completed its first phase of aerobraking in early 1998 and is the rst planetary mission to use aerobraking as a primary means of customizing its orbit to achieve its mission objectives. The aerobraking requirements together with post-launch anomalies presented a unique challenge to provide accurate predictions of the aerothermodynamic environment of the spacecraft in the rare transitional flow regime. Direct Simulation Monte Carlo (DSMC) and free molecular techniques were used to provide heating and aerodynamic predictions and to investigate a variety of rarefied flow phenomena across the regime; MGS is the first major planetary mission in which rare flow predictions have played such a critical role all the way through design, mission planning, and operational phases. This paper summarizes these studies with emphasis on transitional-flow and gas-surface interaction phenomena.

Wilmoth, R. G.↗

ScO x rich surface terminations on lanthanide scandate nanoparticles

We report that the lanthanide scandate materials are widely used substrates for thin film growth and the potential applications of the LnScO 3 materials continue to grow with the recent ability to synthesize them as cuboidal faceted nanoparticles. A comprehensive understanding of the surface structure and chemistry of these oxides is essential for their informed application, either as single crystal or high surface area nanoparticle substrates. Here the {100} pseudocubic surfaces of LnScO 3 (Ln = La, Nd, Sm, Gd) nanoparticles were examined with aberration-corrected electron microscopy and higher-level density functional theory to reveal ScO x rich terminations across all investigated surfaces. Mixed terminations of single and double layer nature were observed, indicating the presence of multiple domains at the surface and introducing the possibility of synthetically controlling the surface reconstruction in the future.

36 MATERIALS SCIENCE↗

Fluid physics, thermodynamics, and heat transfer experiments in space

An overstudy committee was formed to study and recommend fundamental experiments in fluid physics, thermodynamics, and heat transfer for experimentation in orbit, using the space shuttle system and a space laboratory. The space environment, particularly the low-gravity condition, is an indispensable requirement for all the recommended experiments. The experiments fell broadly into five groups: critical-point thermophysical phenomena, fluid surface dynamics and capillarity, convection at reduced gravity, non-heated multiphase mixtures, and multiphase heat transfer. The Committee attempted to assess the effects of g-jitter and other perturbations of the gravitational field on the conduct of the experiments. A series of ground-based experiments are recommended to define some of the phenomena and to develop reliable instrumentation.

Dodge, F. T.↗

Influence of Nucleation Mechanisms on the Radiative Properties of Deep Convective Clouds and Subvisible Cirrus in CRYSTAL/FACE

During the past few years we have conducted work on several different topics, as reflected by our publications. As one of the Co-Project scientists for The Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment (CRYSTAL FACE) we worked to help design the mission and then conduct it in the field. Another major activity during the past two years has been to pull together various groups to formulate plans for follow on missions to CRYSTAL FACE. We organized a workshop at the University of Colorado during the summer of 2003 to assess the best locations for future missions. Working with a group of about 10 scientists from around the country we prepared a science-planning document (Tropical Composition, Cloud and Climate Coupling Experiment (TC(sup 4)) that outlined the rationale, locations, strategy to accomplish the goals, and possible payloads for a set of three tropical missions. We also prepared background materials for various NRAs being prepared at NASA Headquarters for missions in Costa Rica, Darwin and Guam. In conjunction with the group at NASA Ames we have helped build a new numerical model for deep convection and have applied that model to simulate the CRYSTAL data. Our goal in particular has been to better understand how convection distributes water vapor isotopes. CRYSTAL observations of water isotopes are very different from those suggested by previous workers who assumed the isotopes would obey Rayleigh fractionation. The water isotope study has several implications. First it is a check on the realism of the deep convection model. Second, the isotopes are a measure of the precipitation removal in the atmosphere. Hence they provide a constraint on a parameter that is difficult to otherwise measure. Finally it has been suggested that isotopes may be the key to unraveling the water transport into the stratosphere and upper troposphere. Such transport is critical both for the radiation balance and for stratospheric chemistry. Ours is the first model that is able to treat this transport. Our initial results have just been submitted to Geophys. Res. Lett (Smith et al., 2005). Essentially we are able to explain the vertical profiles of isotopes in the tropical tropopause transition layer. We are also able to account for stratospheric humidity and isotope abundances with this model. We have also been heavily involved in trying to improve our understanding of nitric acid condensation on ice. Gao et al (2004) have shown that water supersaturations above ice occur when the atmosphere is supersaturated with respect to nitric acid trihydrate. As one of the co-authors of that work, we suggested the mechanism that may explain why this is occurring. Essentially, ice does not like to grow near unit supersaturation, but does so because the water molecules can find sites on the ice surface to attach themselves to before they fly off the ice surface. This phenomena was well known in the 1960s when it was a source of debate about whether condensation and evaporation coefficients for ice would be the same. Evaporation does not require any molecular orientation, while condensation does, so it was possible that the coefficients would differ. They don't differ because the water molecules rapidly move across the surface and find places to attach. Nitric acid may be occupying these preferred sites and therefore the water molecules can't find a desirable place to attach. We anticipate that this research will be the subject of laboratory work during the coming few years. Another possibility that has been suggested is that cubic ice is forming in clouds. We have measured the vapor pressure of cubic ice, and plan to publish that result in the next few months. We have also been working on additional aspects of the condensation of nitric acid on ice. With Y. Kondo we studied the condensation of NOy on ice using the SOLVE data. Gamblin et al. have continued this work. The CRYSTAL NOy and HNO, groups have shown th their data can be fit using standard Langmuir isotherms as suggested in some, but not all, laboratory studies. We have found in the SOLVE data set that this is not the case. Moreover some laboratory studies show there are important kinetic effects that may be occurring in the atmosphere limiting the transfer of nitric acid to the ice. The SOLVE data seem consistent with these studies. We are currently re-analyzing the CRYSTAL data to look for these kinetic effects. There are a number of implications of these studies. One of the more interesting is that the nitric acid coating on ice can be used as a cloud clock to determine how long the cloud parcel has been in existence. We have also been involved with several laboratory studies. We have worked to improve the database on ice optical constants, which are critical for remote sensing. We have also studied the ways in which ice nucleates on clays. We suspect now that the standard theories used for depositional ice nucleation are completely incorrect. Further work will be needed to develop a new theory.

Toon, Owen B.↗

The International Space Station Supports International Polar Year (IPY)

Every day, ISS astronauts photograph designated sites and dynamic events on the Earth's surface using digital cameras equipped with a variety of lenses. Depending on observation parameters, astronauts can collect high resolution (4-6 m pixel size) or synoptic views (lower resolution but covering very large areas) digital data in 3 (red-green-blue) color bands. ISS crews have daily opportunities to document a variety of high-latitude phenomena. Although lighting conditions, ground track and other viewing parameters change with orbital precessions and season, the 51.6o orbital inclination and 400 km altitude of the ISS provide the crew an unique vantage point for collecting image-based data of polar phenomena, including surface observations to roughly 65o latitude, and upper atmospheric observations that reach nearly to the poles. During the 2007-2009 timeframe of the IPY, polar observations will become a scientific focus for the CEO experiment; the experiment is designated ISS-IPY. We solicit requests from scientists for observations from the ISS that are coordinated with or complement ground-based polar studies. The CEO imagery website for ISS-IPY provides an on-line form that allows IPY investigators to interact with CEO scientists and define their imagery requests. This information is integrated into daily communications with the ISS astronauts about their Earth Observations targets. All data collected are cataloged and posted on the website for downloading and assimilation into IPY projects. Examples of imagery and detailed information about scientific observations from the ISS can also be downloaded from the ISS-IPY web site.

Evans, Cynthia A.↗

Magellan mission summary

Magellan started mapping the planet Venus on September 15, 1990, and after one cycle (one Venus day or 243 earth days) had mapped 84 percent of the planet's surface. This returned an image data volume greater than all past planetary missions combined. Spacecraft problems were experienced in flight. Changes in operational procedures and reprogramming of onboard computers minimized the amount of mapping data lost. Magellan data processing is the largest planetary image-processing challenge to date. Compilation of global maps of tectonic and volcanic features, as well as impact craters and related phenomena and surface processes related to wind, weathering, and mass wasting, has begun. The Magellan project is now in an extended mission phase, with plans for additional cycles out to 1995. The Magellan project will fill in mapping gaps, obtain a global gravity data set between mid-September 1992 and May 1993, acquire images at different view angles, and look for changes on the surface from one cycle to another caused by surface activity such as volcanism, faulting, or wind activity.

Saunders, R. S.↗

A Plasma Drag Hypervelocity Particle Accelerator (HYPER)

Current debris models are able to predict the growth of the space debris problem and suggest that spacecraft must employ armor or bumper shields for some orbital altitudes now and that the problem will become worse as a function of time. The practical upper limit to the velocity distribution is on the order of 40 km/s and is associated with the natural environment. The velocity distribution of the man-made component peaks at 9-10 km/s with maximum velocity in the 14-16 km/s range. Experience in space has verified that the "high probability of impact" particles are in the microgram to milligram range. These particles can have very significant effects on coatings, insulators, and thin metallic layers. The surface of thick materials becomes pitted and the local debris component is enhanced by ejecta from the impact events. In this paper, the HYPER facility is described which produces a reasonable simulation of the man-made space debris spectrum in a controlled environment. The facility capability is discussed in terms of drive geometry, energetics, velocity distribution, diagnostics, and projectile/debris loading. The facility has been used to study impact phenomena on Space Station Freedom's solar array structure, the calibration of space debris collectors, other solar array materials, potential structural materials for use in space, electrical breakdown in the space environment, and as a means of clarifying or duplicating the impact phenomena on surfaces which have been exposed in space.

Best, Steve R.↗

Long-Range Transhorizon Lunar Surface Radio Wave Propagation in the Presence of a Regolith and a Sparse Exospheric Plasma

Long-range, over-the-horizon (transhorizon) radio wave propagation is considered for the case of the Moon. In the event that relay satellites are not available or otherwise unwarranted for use, transhorizon communication provides for a contingency or backup option for non line-of-sight lunar surface exploration scenarios. Two potential low-frequency propagation mechanisms characteristic of the lunar landscape are the lunar regolith and the photoelectron induced plasma exosphere enveloping the Moon. Although it was hoped that the regolith would provide for a spherical waveguide which could support a trapped surface wave phenomena, it is found that, in most cases, the regolith is deleterious to long range radio wave propagation. However, the presence of the plasma of the lunar exosphere supports wave propagation and, in fact, surpasses the attenuation of the regolith. Given the models of the regolith and exosphere adopted here, it is recommended that a frequency of 1 MHz be considered for low rate data transmission along the lunar surface. It is also recommended that further research be done to capture the descriptive physics of the regolith and the exospheric plasma so that a more complete model can be obtained. This comprehensive theoretical study is based entirely on first principles and the mathematical techniques needed are developed as required; it is self-contained and should not require the use of outside resources for its understanding.

Manning, Robert M.↗

Fluid management technology: Liquid slosh dynamics and control

Flight experiments were defined for the Cryogenic On-Orbit Liquid Depot Storage, Acquisition and Transfer Satellite (COLD-SAT) test bed satellite and the Shuttle middeck to help establish the influence of the gravitational environment on liquid slosh dynamics and control. Several analytical and experimental studies were also conducted to support the experiments and to help understand the anticipated results. Both FLOW-3D and NASA-VOF3D computer codes were utilized to simulate low Bond number, small amplitude sloshing, for which the motions are dominated by surface forces; it was found that neither code provided a satisfactory simulation. Thus, a new analysis of low Bond number sloshing was formulated, using an integral minimization technique that will allow the assumptions made about surface physics phenomena to be modified easily when better knowledge becomes available from flight experiments. Several examples were computed by the innovative use of a finite-element structural code. An existing spherical-pendulum analogy of nonlinear, rotary sloshing was also modified for easier use and extended to low-gravity conditions. Laboratory experiments were conducted to determine the requirements for liquid-vapor interface sensors as a method of resolving liquid surface motions in flight experiments. The feasibility of measuring the small slosh forces anticipated in flight experiments was also investigated.

Dodge, Franklin T.↗

In-flight off-surface flow visualization using infrared imaging

A light test investigation was conducted to evaluate an infrared (IR) imaging technique to visualize off-surface flow phenomena. A single-engine, general-aviation airplane was equipped with an IR imaging system that viewed the region around the left wingtip. Vortical flow at the wingtip was seeded with surfur hexafluoride, a gas with strong infrared absorbing and emitting characteristics. Different terrain and sky backgrounds were evaluated for their effect on IR images of vortical flow. The best IR images were obtained with a clear background. The results of the investigation indicate that IR flow visualization compliments existing smoke generator methods for off-surface flow visualization.

Manuel, Gregory S.↗

Flow Visualization for Plume-Surface Interaction Testing Within Large-Scale Vacuum Environments at Conditions Relevant to Lunar and Martian Landers

Interactions between rocket exhaust plumes and the landing surface during powered spacecraft descent on the Moon and Mars pose significant risks to the landing vehicle, landing site, and nearby infrastructure. Understanding the underlying plume-surface interaction phenomena through ground test data can provide critical insights on the sensitivities of parameters such as the spacecraft altitude and thrust. In the present work, we summarize a scaled ground test recently conducted within a 20-ft vacuum chamber environment located in the historical East Test Area at the NASA Marshall Space Flight Center. The ground test featured a Mach 5.3 inert gas plume impinging upon an instrumented flat plate. Planar laser-induced fluorescence, which is a 2D laser-based flow field measurement technique, was performed at this test area for the first time to visualize salient flow features such as the barrel shock, stagnation shock, and wall jet. Measurements were obtained at discrete lander altitudes, made dimensionless using the nozzle exit diameter, corresponding to h/D = 10, 8, 5, 4, 3, and 2. The stagnation pressures of the plume were varied from approximately 0.04 to 1 MPa, providing sensitivity to the engine thrust of a powered spacecraft. The unique test facility allowed for near-lunar conditions to be obtained at initial vacuum chamber pressures less than 0.1 Pa. Martian-relevant measurements were also performed at ambient pressures near 600 Pa. Furthermore, a third set of measurements were obtained at so called lunar-relevant conditions near 3 Pa chamber pressure

Plume Surface Interaction↗

Flow Visualization for Plume-Surface Interaction Testing Within Large-Scale Vacuum Environments at Conditions Relevant to Lunar and Martian Landers

Interactions between rocket exhaust plumes and the landing surface during powered spacecraft descent on the Moon and Mars pose significant risks to the landing vehicle, landing site, and nearby infrastructure. Understanding the underlying plume-surface interaction phenomena through ground test data can provide critical insights on the sensitivities of parameters such as the spacecraft altitude and thrust. In the present work, we summarize a scaled ground test recently conducted within a 20-ft vacuum chamber environment located in the historical East Test Area at the NASA Marshall Space Flight Center. The ground test featured a Mach 5.3 inert gas plume impinging upon an instrumented flat plate. Planar laser-induced fluorescence, which is a 2D laser-based flow field measurement technique, was performed at this test area for the first time to visualize salient flow features such as the barrel shock, stagnation shock, and wall jet. Measurements were obtained at discrete lander altitudes, made dimensionless using the nozzle exit diameter, corresponding to h/D = 10, 8, 5, 4, 3, and 2. The stagnation pressures of the plume were varied from approximately 0.04 to 1 MPa, providing sensitivity to the engine thrust of a powered spacecraft. The unique test facility allowed for near-lunar conditions to be obtained at initial vacuum chamber pressures less than 0.1 Pa. Martian-relevant measurements were also performed at ambient pressures near 600 Pa. Furthermore, a third set of measurements were obtained at so called lunar-relevant conditions near 3 Pa chamber pressure.

Plume Surface Interaction↗

Fast Correction of Errors in the DFT‐Calculated Energies of Gaseous Nitrogen‐Containing Species

Abstract Modeling adsorption phenomena on surfaces by DFT calculations often involves substantial errors, resulting in inaccurate predictions of catalytic activities. Such errors partly stem from the inaccurate description of the energetics of free molecules. Herein, we use a semiempirical group‐additivity method to correct the DFT‐calculated heats of formation of 106 carbon‐ and nitrogen‐containing gaseous compounds belonging to 15 different chemical families. PBE, PW91, RPBE and BEEF‐vdW initially yield mean absolute errors (MAEs) with respect to experiments in the range of 0.32–0.75 eV. After correcting the systematic errors, the overall MAEs decrease to ∼0.05 eV. Additionally, upon applying the corrections to three types of reaction enthalpies, the resulting MAEs are below 0.10 eV. These functional‐group corrections can be used in (electro)catalysis to correct the gas‐phase references necessary to evaluate equilibrium potentials and adsorption energies, predict error cancellation, and assess conflicting experimental data.

Urrego‐Ortiz, Ricardo↗