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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Geometric Measure Theory Approach to Identify Complex Structural Features on Soft Matter Surfaces

The structural features that protrude above or below a soft matter interface are well-known to be related to interfacially mediated chemical reactivity and transport processes. It is a challenge to develop a robust algorithm for identifying these organized surface structures, as the morphology can be highly varied and they may exist on top of an interface containing significant interfacial roughness. A new algorithm that employs concepts from geometric measure theory, algebraic topology, and optimization is developed to identify candidate structures at a soft matter surface, and then, using a probabilistic approach, to rank their likelihood of being a complex structural feature. The algorithm is tested for a surfactant laden water/oil interface, where it is robust to identifying protrusions responsible for water transport against a set identified by visual inspection. To our knowledge, this is the first example of applying geometric measure theory to analyze the properties of a chemical/materials science system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Droplet Evaporation on Hot Micro-Structured Superhydrophobic Surfaces: Analysis of Evaporation from Droplet Cap and Base Surfaces

In this study, evaporation of sessile water droplets on hot micro-structured superhydrophobic surfaces is experimentally and theoretically investigated. Water droplets of 4 µL are placed on micro-pillared silicon substrates with the substrate temperature heated up to 120°C. A comprehensive thermal circuit model is developed to analyze the effects of substrate roughness and substrate temperature on the sessile droplet evaporation. For the first time, two components of heat and mass transfer, i.e., one from the droplet cap surface and the other from the droplet base surface, during droplet evaporation are distinguished and systematically studied. As such, the evaporation heat transfer rates from both the droplet cap surface and the interstitial liquid-vapor interface between micropillars at the droplet base are calculated in various conditions. For droplet evaporation on the heated substrates in the range of 40°C – 80°C, the predicted droplet cap temperature matches well with the experimental results. Furthermore, during the constant contact radius mode of droplet evaporation, the decrease of evaporation rate from the droplet base contributes most to the continuously decreasing overall evaporation heat transfer rate, whereas the decrease of evaporation rate from the droplet cap surface is dominant in the constant contact angle mode. The influence of internal fluid flow is considered for droplet evaporation on substrates heated above 100°C, and an effective thermal conductivity is adopted as a correction factor to account for the effect of convection heat transfer inside the droplet. Temperature differences between the droplet base and the substrate base are estimated to be about 2°C, 5°C, 8°C, 13°C and 18°C for droplet evaporation on substrates heated at 40°C, 60°C, 80°C, 100°C, and 120°C, respectively, elucidating the delayed or depressed boiling of water droplets on a heated rough surface due to evaporative cooling.

42 ENGINEERING↗
NASA NTRS1988

Electronic materials high-T(sub c) superconductivity polymers and composites structural materials surface science and catalysts industry participation

The fifth year of the Center for Advanced Materials was marked primarily by the significant scientific accomplishments of the research programs. The Electronics Materials program continued its work on the growth and characterization of gallium arsenide crystals, and the development of theories to understand the nature and distribution of defects in the crystals. The High Tc Superconductivity Program continued to make significant contributions to the field in theoretical and experimental work on both bulk materials and thin films and devices. The Ceramic Processing group developed a new technique for cladding YBCO superconductors for high current applications in work with the Electric Power Research Institute. The Polymers and Composites program published a number of important studies involving atomistic simulations of polymer surfaces with excellent correlations to experimental results. The new Enzymatic Synthesis of Materials project produced its first fluorinated polymers and successfully began engineering enzymes designed for materials synthesis. The structural Materials Program continued work on novel alloys, development of processing methods for advanced ceramics, and characterization of mechanical properties of these materials, including the newly documented characterization of cyclic fatigue crack propagation behavior in toughened ceramics. Finally, the Surface Science and Catalysis program made significant contributions to the understanding of microporous catalysts and the nature of surface structures and interface compounds.

Source record↗
NASA NTRS1987

Limitations of spectral measures and observations of the group structure of surface waves

Wave-group structure, which plays a significant role in flux processes and the mechanics of the transfer of wave energy and momentum to the mean current field, is studied. The origin of wave groups, in particular sideband instabilities, the effects of amplitude variations on wave frequency and of wave damping on isolated groups, and flow separation over waves, is discussed. The mechanisms that cause the group formation are compared to the dynamics that result in wave propagation. The bifurcation and shift in wave modulations, and the possible existence of a unique asymptotic statistical state for the wave-modulation field are examined.

Mollo-Christensen, Erik↗
DOE OSTI2019

Graph Theory Approach to High-Throughput Surface Adsorption Structure Generation

We present a methodology for graph based enumeration of surfaces and unique chemical adsorption structures bonded to those surfaces. Utilizing the graph produced from a bulk structure, we create a unique graph representation for any general slab cleave and further extend that representation to include a large variety of catalytically relevant adsorbed molecules. Here, we also demonstrate simple geometric procedures to generate 3D initial guesses of these enumerated structures. While generally useful for generating a wide variety of structures used in computational surface science and heterogeneous catalysis, these techniques are also key to facilitating an informatics approach to the high-throughput search for more effective catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synchrotron x-ray imaging visualization study of capillary-induced flow and critical heat flux on surfaces with engineered micropillars

Over the past several decades, phenomena related to critical heat flux (CHF) on structured surfaces have received a large amount of attention from the research community. The purpose of such research has been to enhance the safety and efficiency of a variety of thermal systems. A number of theories have been put forward to explain the key CHF enhancement mechanisms on structured surfaces. However, these theories have not been confirmed experimentally due to limitations in the available visualization techniques and the complexity of the phenomena. To overcome the limitations of the previous visualization techniques and elucidate the CHF enhancement mechanism on the structured surfaces, we introduce synchrotron X-ray imaging with high spatial (~2 μm) and time (~20,000 Hz) resolutions. Lastly, this technique has enabled us to confirm that capillary-induced flow is the key CHF enhancement mechanism on structured surfaces.

42 ENGINEERING↗
DOE OSTI2015

Structure determination of the clean (001) surface of strained Si on Si{sub 1−x}Ge{sub x}

The surface structure of the strained Si(001) (thickness of 20 nm) on Si{sub 1−x}Ge{sub x} (x = 0.1, 0.2, and 0.3) was studied by low-energy electron diffraction (LEED). LEED intensity-energy spectra of the 2 × 1 reconstructed clean surfaces showed a systematic change that indicates the lattice contraction along the [001] direction remains even at the surfaces. The atomic structures were quantitatively determined, and they were compared with the unstrained pristine Si. The differences in the atomic position almost follow the difference in the bulk lattice constant determined by X-ray diffraction measurements. The results indicate that the strain produced at the Si/Si{sub 1−x}Ge{sub x} interface remains unchanged up to the surface layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Engineering, construction, and operations in space II; Proceedings of Space 90, the Second International Conference, Albuquerque, NM, Apr. 22-26, 1990. Vols. 1 & 2

Attention is given to such topics as the processing of lunar soils, the automated processing of extraterrestrial materials, lunar excavation and mining, lunar oxygen, lunar base development, lunar surface structures, planetary surface transportation, and Mars missions. Papers are also presented on the Space Station, space debris, robotics and automated processing, structures and structural response, Mission to Planet Earth, life support systems, space power, human factors, artificial gravity, and education.

Johnson, Stewart W.↗
DOE OSTI2015

Ptychographic x-ray imaging of surfaces on crystal truncation rod

Ptychography is a high-resolution imaging technique, which does not require lenses for image magnification and which provides phase contrast with high sensitivity. Here, we propose to use x-ray ptychography for the imaging of surface structure in crystalline samples. We show that ptychography can be used to image atomic step structures using coherent diffraction patterns recorded along the crystal truncation rod of a crystal surface. In a proof-of-concept experiment on a Pt (111) sample, we present ptychographic reconstructions showing features consistent with surface steps. Due to the penetration power of x-rays, this method could find interesting applications for the study of surface structures under buried interfaces or in harsh environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Structure and properties of solid surfaces

Difficulties in experimental studies of crystalline surfaces are related to the fact that surface atoms have an intrinsic tendency to react with their environment. A second problem is connected with the effective thickness of surfaces, which ranges from one to several atom layers. The phenomenology of surface interactions with gases are considered, taking into account physical adsorption, chemisorption, and the oxidation of surfaces. Studies of the surface structure are discussed, giving attention to field emission microscopy, field-ion microscopy, electron diffraction techniques, Auger spectroscopy, scanning electron microscopy, electron probe microanalysis, ion microprobe methods, and low-energy backscattering spectroscopy. Investigations of semiconductor surfaces are also described.

Gatos, H. C.↗
DOE OSTI2017

Na-Montmorillonite Edge Structure and Surface Complexes: An Atomistic Perspective

The edges of montmorillonite (MMT) react strongly with metals and organic matter, but the atomic structure of the edge and its surface complexes are not unambiguous since the experimental isolation of the edge is challenging. In this study, we introduce an atomistic model of a Na MMT edge that is suitable for classical molecular dynamics (MD) simulations, in particular for the B edge, a representative edge surface of 2:1 phyllosilicates. Our model possesses the surface groups identified through density functional theory (DFT) geometry optimizations performed with variation in the structural charge deficit and Mg substitution sites. The edge structure of the classical MD simulations agreed well with previous DFT-based MD simulation results. Our MD simulations revealed an extensive H-bond network stabilizing the Na-MMT edge surface, which required an extensive simulation trajectory. Some Na counter ions formed inner-sphere complexes at two edge sites. The stronger edge site coincided with the exposed vacancy in the dioctahedral sheet; a weaker site was associated with the cleaved hexagonal cavity of the tetrahedral sheet. The six-coordinate Na complexes were not directly associated with the Mg edge site. Our simulations have demonstrated the heterogeneous surface structures, the distribution of edge surface groups, and the reactivity of the MMT edge.

58 GEOSCIENCES↗
DOE OSTI2016

SPONTANEOUS FORMATION OF SURFACE MAGNETIC STRUCTURE FROM LARGE-SCALE DYNAMO IN STRONGLY STRATIFIED CONVECTION

We report the first successful simulation of spontaneous formation of surface magnetic structures from a large-scale dynamo by strongly stratified thermal convection in Cartesian geometry. The large-scale dynamo observed in our strongly stratified model has physical properties similar to those in earlier weakly stratified convective dynamo simulations, indicating that the α {sup 2}-type mechanism is responsible for the dynamo. In addition to the large-scale dynamo, we find that large-scale structures of the vertical magnetic field are spontaneously formed in the convection zone (CZ) surface only in cases with a strongly stratified atmosphere. The organization of the vertical magnetic field proceeds in the upper CZ within tens of convective turnover time and band-like bipolar structures recurrently appear in the dynamo-saturated stage. We consider several candidates to be possibly be the origin of the surface magnetic structure formation, and then suggest the existence of an as-yet-unknown mechanism for the self-organization of the large-scale magnetic structure, which should be inherent in the strongly stratified convective atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Adsorption of aromatics on the (111) surface of PtM and PtM 3 (M = Fe, Ni) alloys

The adsorption of benzene and phenol was studied on PtM and PtM3 (111) surfaces, with M being either Ni or Fe. Under vacuum, the most favorable near surface structures showed an enrichment in Pt over the M species. An analysis of the electronic structure of the metal species in the clean surfaces with different near surface structures was done with the d-band model and showed that the Pt's d-states are significantly shifted away from the Fermi level due to the Pt-M interactions while the M species' d-states were less affected, with Ni's d-band shifting closer to the Fermi level and Fe's d-band shifting away from the Fermi level. The adsorption of aromatics, benzene and phenol, on several near surface structures for the PtM and PtM3 (111) surfaces showed that higher surface M concentrations resulted in a stronger adsorption due to the larger amount of charge transferred between the adsorbate and surface. However, compared to the adsorption of benzene and phenol on monometallic surfaces, the adsorption of these species on the PtM and PtM3 (111) surfaces was significantly weakened. Overall, our results show that the observed behavior of these Pt/Fe and Pt/Ni alloys is similar to that seen for the previously studied Pd/Fe surfaces. Furthermore, balancing the weakly adsorbing Pt surface species with the more strongly interacting Fe or Ni species can lead to the tailored adsorption of aromatics with applications in both hydrodeoxygenation and hydrogenation reactions by increasing the desorption rate of wanted aromatic products.

Hensley, Alyssa J. R.↗
DOE OSTI2019

A Study of Support Effects for CH 4 and CO Oxidation over Pd Catalysts on ALD-Modified Al 2 O 3

Interactions between a metal and its oxide support can influence CO and CH 4 oxidation, but promotion by the support can be difficult to study because oxides can have different surface structures and surface areas. To focus on the chemical aspects of support promotion for CO and CH 4 oxidation, this study investigated the effect of support composition on Pd catalysts by preparing uniform films of NiO, Co 3 O 4 , Fe 2 O 3 , MnO 2 , CeO 2 , and ZrO 2 on γ-Al 2 O 3 using Atomic Layer Deposition (ALD). The structure of the films was characterized by XRD and STEM, and catalysts with ~ 1-wt% Pd were examined for CO and CH 4 oxidation. CeO 2 /γ-Al 2 O 3 was unique among the supports in greatly stabilizing the Pd dispersion to 1173 K. Rates for CO oxidation were enhanced by the presence of CeO 2 , Fe 2 O 3 , and MnO 2 , while the other oxides had no promotional effect. For CH 4 oxidation, only NiO and Co 3 O 4 were modest promoters, while the other reducible oxides even showed a negative effect on rates. Finally, possible reasons for the differences between CH 4 and CO oxidation activities are discussed.

42 ENGINEERING↗
DOE OSTI2019

A Bayesian Monte Carlo inversion of spatial auto-correlation (SPAC) for near-surface Vs structure applied to both broad-band and geophone data

SUMMARY We propose a new Bayesian method to reveal the Vs structure of the near surface of the earth using spatial autocorrelation (SPAC) functions and apply this new method to synthetic, broad-band and geophone data sets. The principle of SPAC is introduced, and an implementation of the Bayesian Monte Carlo inversion (BMCI) for modelling SPAC coherency functions is described. To demonstrate its effectiveness, BMCI is applied to synthetic tests, data from 14 SPAC array sites in the Salt Lake Valley (SLV), Utah, and two arrays (one broad-band and one geophone) located in south central Utah. The Vs models derived from previous SPAC analysis of the 14 SLV sites differ by 10 per cent at most from those determined by BMCI and lie within uncertainties determined for the BMCI models. These agreements demonstrate the effectiveness of the BMCI method. The synthetic tests and applications to the SLV SPAC data show BMCI has great potential to resolve Vs structure down to at least 400 m. To achieve resolution for deeper Vs structure, longer duration deployments, wider array apertures, and additional seismometers or geophones can be used. Additionally, when the target frequencies are greater than 0.1 Hz, there is no apparent disadvantage in using geophone data for BMCI compared to broad-band data. Most significantly, BMCI places a quantifiable constraint on the uncertainties of the Vs models as well as Vs30.

58 GEOSCIENCES↗
DOE OSTI2018

Influence of Process-Induced Anisotropy and Synovial Environment on Wear of EBM Built Ti6Al4V Joint Implants

Additive manufacturing (AM) technology is identified as an ideal solution to overcome challenges in design and manufacturing of complex components. However, the layered fashion of AM process result in directionally solidified microstructures on the system. The anisotropic surface texture will affect wear and corrosion resistance. The current study investigates tribological responses of AM-made Ti6Al4V for joint implant applications during the combined effect from synovial lubrication and process-induced surface structure on surface fatigue damage response. Electron beam melting was used to produce Ti6Al4V specimens and mechanical characterizations were performed using nanoindentation and micro bending tests to determine their mechanical properties. A series of pin-on-disk wear tests were performed to quantify sliding contact fatigue damage in three simulated synovial fluids with variable concentrations of bovine serum albumin and hyaluronic acid in the PBS solution. Physical properties of simulated synovial fluids were measured using a nanoindenter-based technique and correlated to fatigue wear response. The lower wear rate is found in greater protein concentrations. The results presented AM build direction significantly affects sliding fatigue wear resistance on TI6Al4V surface in all synovial environments.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Study of the Brazil and Falkland currents using their images of Nimbus 5 and oceanographic data in 1972 - 1973

The Western Edge of the Sub-tropical Convergence of the South-western Atlantic Ocean, called the Front, which is a thermal discontinuity between the Brazil and Falkland Currents, was studied utilizing the Temperature Humidity Infrared Radiometer (THIR) of Nimbus V in the 10.5 to 12.5 micrometers channel and historical oceanographic data. Some important results obtained are: the oceanographic Front could be detected from Nimbus THIR data; oceanographic charts showed that the transition zone where the Brazil and the Falkland Currents meet was the Front detected from satellite data; ocean current speeds calculated with THIR data were of the same order of magnitude as those calculated oceanographically; fisheries statistics for Pargo Roseo showed that the maximum catches were in September of 1973, in the period when the Front was observed most distinctly and clearly. The results showed the great potentiality of satellite data to study surface thermal structures, surface currents and oceanic fisheries.

Tseng, Y. C.↗