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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 19 records

Electrochemical Roughening of Thin-Film Platinum Macro and Microelectrodes

This protocol demonstrates a method for electrochemical roughening of thin-film platinum electrodes without preferential dissolution at grain boundaries of the metal. Using this method, a crack free, thin-film macroelectrode surface with up to 40 times increase in active surface area was obtained. The roughening is easy to do in a standard electrochemical characterization laboratory and incudes the application of voltage pulses followed by extended application of a reductive voltage in a perchloric acid solution. The protocol includes the chemical and electrochemical preparation of both a macroscale (1.2 mm diameter) and microscale (20 µm diameter) platinum disc electrode surface, roughening the electrode surface and characterizing the effects of surface roughening on electrode active surface area. This electrochemical characterization includes cyclic voltammetry and impedance spectroscopy and is demonstrated for both the macroelectrodes and the microelectrodes. Finally, roughening increases electrode active surface area, decreases electrode impedance, increases platinum charge injection limits to those of titanium nitride electrodes of same geometry and improves substrates for adhesion of electrochemically deposited films.

42 ENGINEERING↗

Influence of Ice Particle Surface Roughening on the Global Cloud Radiative Effect

Ice clouds influence the climate system by changing the radiation budget and large-scale circulation. Therefore, climate models need to have an accurate representation of ice clouds and their radiative effects. In this paper, new broadband parameterizations for ice cloud bulk scattering properties are developed for severely roughened ice particles. The parameterizations are based on a general habit mixture that includes nine habits (droxtals, hollow/solid columns, plates, solid/hollow bullet rosettes, aggregate of solid columns, and small/large aggregates of plates). The scattering properties for these individual habits incorporate recent advances in light-scattering computations. The influence of ice particle surface roughness on the ice cloud radiative effect is determined through simulations with the Fu-Liou and the GCM version of the Rapid Radiative Transfer Model (RRTMG) codes and the National Center for Atmospheric Research Community Atmosphere Model (CAM, version 5.1). The differences in shortwave (SW) and longwave (LW) radiative effect at both the top of the atmosphere and the surface are determined for smooth and severely roughened ice particles. While the influence of particle roughening on the single-scattering properties is negligible in the LW, the results indicate that ice crystal roughness can change the SW forcing locally by more than 10 W m(exp −2) over a range of effective diameters. The global-averaged SW cloud radiative effect due to ice particle surface roughness is estimated to be roughly 1-2 W m(exp −2). The CAM results indicate that ice particle roughening can result in a large regional SW radiative effect and a small but nonnegligible increase in the global LW cloud radiative effect.

clouds↗

Method for electrochemical roughening of thin film electrodes

The present invention relates to surface roughening methods and more particularly to a method for electrochemical roughening of thin film macro- and micro-electrodes. In one embodiment, an electrochemical etch template is formed comprising polymer particles adsorbed on a surface of a substrate to be roughened, followed by electrochemically etching of exposed regions of the substrate between the polymer particles in the electrochemical etch template so as to selectively roughen the surface of the substrate. In another embodiment, a surface of the electrode is immersed in either a adsorbing acidic solution, such as sulfuric acid, or a non-adsorbing acidic solution, such as perchloric acid, followed by electrochemically pulse etching the surface of the substrate at a narrow frequency range for adsorbing acidic solutions, or at a wide frequency range for non-adsorbing acidic solutions.

36 MATERIALS SCIENCE↗

Effect of correlated oxide electrodes on disorder pinning and thermal roughening of ferroelectric domain walls in epitaxial PbZr 0.2 Ti 0.8 O 3 thin films

We report the competing effects of disorder pinning and thermal roughening on ferroelectric domain walls as a function of temperature in epitaxial PbZr 0.2 Ti 0.8 O 3 thin films deposited on (001) SrTiO 3 substrates buffered by three types of correlated oxide electrodes, La 0.67 Sr 0.33 MnO 3 , LaNiO 3 , and SrIrO 3 . Piezo-response force microscopy studies show that the 50 nm PbZr 0.2 Ti 0.8 O 3 films are uniformly polarized in the as-grown states, with the patterned domain structures persisting above 700 °C. For all three types of films, the domain wall roughness is dominated by 2D random bond disorder at room temperature, and transitions to 1D thermal roughening upon heating. The roughness exponent ζ increases progressively from 0.3 to 0.5 within a temperature window that depends on the bottom conducting oxide type, from which we extracted the distribution of disorder pinning energy. Lastly, we discuss the possible origins of the disorder pinning and the effect of the correlated oxide electrodes on the energy landscape of DW motion.

36 MATERIALS SCIENCE↗

Chemisorption-Driven Roughening of Hydrothermally Grown KTa1–xNbxO3 Nanoparticles

The chemical and physical properties of nanoparticle surfaces have significant effects on their growth processes and the resulting morphology. Hydrothermally grown KNbO3, KTaO3, and KTa1–xNbxO3 were studied to examine the complex relationships between surface composition, phase, chemistry, and energetics and how these may be used to model and thereby control nanoparticle growth mechanisms. Two different composition-dependent growth modes were identified, where one type formed smooth surface facets, while the other resulted in roughened nanoparticle morphologies. Electron microscopy characterization, density functional theory calculations, and mathematical growth models were used to illuminate the role of surface properties and chemisorption on the nanoparticle growth morphology. Surface energy reduction by chemisorption can increase the rate of terrace nucleation, driving the roughening of these lower energy nanoparticle surfaces.

Ly, Tiffany↗

Local heat/mass transfer and pressure drop in a two-pass rib-roughened channel for turbine airfoil cooling

The heat transfer characteristics of turbulent air flow in a multipass channel were studied via the naphthalene sublimation technique. The naphthalene-coated test section, consisting of two straight, square channels joined by a 180 deg turn, resembled the internal cooling passages of gas turbine airfoils. The top and bottom surfaces of the test channel were roughened by rib turbulators. The rib height-to-hydraulic diameter ratio (e/D) were 0.063 and 0.094, and the rib pitch-to-height ratio (P/e) were 10 and 20. The local heat/mass transfer coefficients on the roughened top wall and on the smooth divider and side walls of the test channel were determined for three Reynolds numbers of 15, 30, and 60, thousand, and for three angles of attack (alpha) of 90, 60, and 45 deg. Results showed that the local Sherwood numbers on the ribbed walls were 1.5 to 6.5 times those for a fully developed flow in a smooth square duct. The average ribbed-wall Sherwood numbers were 2.5 to 3.5 times higher than the fully developed values, depending on the rib angle of attack and the Reynolds number. The results also indicated that, before the turn, the heat/mass transfer coefficients in the cases of alpha = 60 and 45 deg were higher than those in the case of alpha=90 deg. However, after the turn, the heat/mass transfer coefficients in the oblique-rib cases were lower than those in the transverse rib case. Correlations for the average Sherwood number ratios for individual channel surfaces and for the overall Sherwood number ratios are reported. Correlations for the fully developed friction factors and for the loss coefficients are also provided.

Han, J. C.↗

Local heat/mass transfer distributions around sharp 180 deg turns in two-pass smooth and rib-roughened channels

The napthalene sublimation technique was employed to study the detailed mass transfer distributions around the sharp 180 deg turns in a two-pass, square, smooth channel and in an identical channel with two rib-roughened opposite walls. Experiments conducted for Reynolds numbers of 15,000, 30,000, and 60,000 indicate that the Sherwood numbers on the top, outer, and inner walls around the turn in the rib-roughened channel are higher than the corresponding Sherwood numbers around the turn in the smooth channel. Sherwood numbers after the sharp turn are found to be higher than those before the turn for both the smooth and the ribbed channels.

Han, J. C.↗

Microwave scattering from wind- and rain-roughened seas

Microwave scattering from wind- and rain-roughened seas is studied under the assumption that, for light wind and light rain, the processes contributing to the scatterometer signal are independent. It is argued that calibrations from exclusively rain and exclusively wind conditions are all that is needed to predict scatterometer cross section for combined conditions. It is demonstrated that scatterometer response to a rain-roughened water surface is linear, but the slope of the relationship is sensitive to drop-size distribution. It is concluded that first-order wind and rain can be regarded as independent processes. Average cross section varies linearly with rainfall rate, but the slope of the relationship is a function of drop-size distribution. For combined light rain plus light wind, sigma-c is found to be well predicted by the addition of wind and rain models.

Bliven, Larry F.↗

Friction Factor for Flow in Rectangular Ducts with One Side Rib-Roughened

Numerical simulations of incompressible turbulent flow through rectangular ducts with one side rib-roughened were performed to determine pressure drop. The "PHOENICS " software package was used for the computations, which required provision of a wall function for transverse rib-roughened surfaces. The present study was conducted in the range of 10(exp 5) less than or equal to Reynolds number less than or equal to 10(exp 7), 0.01 less than or equal to rib height to hydraulic diameter ratio less than or equal to 0.04, 10 less than or equal to pitch to rib height ratio less than or equal to 40. Using the numerical results, friction factor charts for various aspect ratios were generated. The numerical results agreed well with experimental data that was obtained for 10(exp 5) less than Reynolds less than 2 x 10(exp 5). In addition, a scheme for predicting friction factor using existing correlations for smooth and rough walls was developed.

Youn, B.↗

Kinetic Monte Carlo Simulations of Rod Eutectics and the Surface Roughening Transition in Binary Alloys

In this paper we report on two related topics: Kinetic Monte Carlo simulations of the steady state growth of rod eutectics from the melt, and a study of the surface roughness of binary alloys. We have implemented a three dimensional kinetic Monte Carlo (kMC) simulation with diffusion by pair exchange only in the liquid phase. Entropies of fusion are first chosen to fit the surface roughness of the pure materials, and the bond energies are derived from the equilibrium phase diagram, by treating the solid and liquid as regular and ideal solutions respectively. A simple cubic lattice oriented in the {100} direction is used. Growth of the rods is initiated from columns of pure B material embedded in an A matrix, arranged in a close packed array with semi-periodic boundary conditions. The simulation cells typically have dimensions of 50 by 87 by 200 unit cells. Steady state growth is compliant with the Jackson-Hunt model. In the kMC simulations, using the spin-one Ising model, growth of each phase is faceted or nonfaceted phases depending on the entropy of fusion. There have been many studies of the surface roughening transition in single component systems, but none for binary alloy systems. The location of the surface roughening transition for the phases of a eutectic alloy determines whether the eutectic morphology will be regular or irregular. We have conducted a study of surface roughness on the spin-one Ising Model with diffusion using kMC. The surface roughness was found to scale with the melting temperature of the alloy as given by the liquidus line on the equilibrium phase diagram. The density of missing lateral bonds at the surface was used as a measure of surface roughness.

Bentz, Daniel N.↗

Kinetic Roughening and Energetics of Tetragonal Lysozyme Crystal Growth

Lysozyme crystal growth rates over 5 orders of magnitude in range can be described using a layer-by-layer model where growth occurs by 2D nucleation on the crystal surface. Based upon the 2D nucleation model of layer growth, the effective barrier for growth was determined to be gamma = 1.3 plus or minus 0.3 x 10(exp -13) erg/molecule, corresponding to a barrier of 3.2 plus or minus 0.7 k(sub B)T, at 22 C. For solution supersaturation, In c/c(sub eq) greater than or equal to 1.9 plus or minus 0.2, the nucleation model would not predict or consistently estimate the highest observable crystal growth rates. As such, a kinetic roughening hypothesis where crystal growth occurs by a continuous mode was implemented for all growth rate data obtained above In c(sub r)/c(sub eq) greater than or equal to 2. That is, independent of the solution conditions that vary with either buffer pH, temperature or precipitant concentration, crystal growth occurs by the continuous addition of molecules anywhere on the crystal surface, above a roughening solution supersaturation. The energy barrier, E(sub c), for the continuous growth process is determined as 6.1 plus or minus 0.4 x 10(exp -13) erg/molecule or 15 plus or minus 1 k(sub B)T at 22 C.

Gorti, Sridhar↗

Kinetic Roughening Transition and Energetics of Tetragonal Lysozyme Crystal Growth

Interpretation of lysozyme crystal growth rates using well-established physical theories enabled the discovery of a phenomenon possibly indicative of kinetic roughening. For example, lysozyme crystals grown above a critical supersaturation sigma, (where supersaturation sigma = ln c/c(sub eq), c = the protein concentration and c(sub eq) = the solubility concentration) exhibit microscopically rough surfaces due to the continuous addition of growth units anywhere on the surface of a crystal. The rate of crystal growth, V(sub c), for the continuous growth process is determined by the continuous flux of macromolecules onto a unit area of the crystal surface, a, from a distance, xi, per unit time due to diffusion, and a probability of attachment onto the crystal surface, expressed. Based upon models applied, the energetics of lysozyme crystal growth was determined. The magnitudes of the energy barriers of crystal growth for both the (110) and (101) faces of tetragonal lysozyme crystals are compared. Finally, evidence supportive of the kinetic roughening hypothesis is presented.

Gorti, Sridhar↗

Kinetic Roughening and Energetics of Tetragonal Lysozyme Crystal Growth: A Preliminary Atomic Force Microscopy Investigation

We examined particulars of crystal growth from measurements obtained at both microscopic and molecular levels. The crystal growth measurements performed at the microscopic level are well characterized by a model that balances the flux of macromolecules towards the crystal surface with the flux of the crystal surface. Numerical evaluation of model with measurements of crystal growth, in time, provided accurate estimates for the average growth velocities. Growth velocities thus obtained were also interpreted using well-established phenomenological theories. Moreover, we find that microscopic measurements of growth velocity measurements obtained as a function of temperature best characterizes changes in crystal growth modes, when present. We also examined the possibility of detecting a change in crystal growth modes at the molecular level using atomic force microscopy, AFM. From preliminary AFM measurements performed at various supersaturations, we find that magnitude of surface height fluctuations, h(x), increases with supersaturation. Further examination of surface height fluctuations using methods established for fluctuation spectroscopy also enabled the discovery of the existence of a characteristic length, c, which may possibly determine the mode of crystal growth. Although the results are preliminary, we establish the non- critical divergence of 5 and the root-mean-square (rms) magnitude of height-height fluctuations as the kinetic roughening transition temperatures are approached. Moreover, we also examine approximate models for interpreting the non-critical behavior of both 6 and rms magnitude of height-height fluctuations, as the solution supersaturation is increased towards the kinetic roughening supersaturation.

Gorti, Sridhar↗

CO–induced roughening of Cu(111): formation and detection of reactive nanoclusters on metal surfaces

The formation of nanoclusters on metal surfaces in the presence of reactive environments is a phenomenon with important implications for catalysis. These nanoclusters are composed of atoms ejected from undercoordinated sites such as step edges, and their presence alters the catalytic properties of solid materials. We perform density functional theory (DFT) and kinetic Monte Carlo (KMC) simulations to investigate the formation and reactivity of copper clusters on Cu(111). Our results indicate a considerably higher reactivity of small copper nanoclusters, with up to seven atoms in size on roughened copper surfaces than on pristine Cu(111) and Cu(211). Regarding the restructuring events that give rise to nanoclusters under CO atmospheres, we determine that the ejection of Cu atoms from step edges and their migration therefrom to adjacent Cu(111) terraces are, by and large, driven by CO coverage effects. By means of KMC simulations, which account for CO–CO lateral interactions and CO–induced surface restructuring, we show that temperature programmed desorption (TPD) holds promise for the detection of highly reactive nanoclusters. Furthermore, our approach showcases how surface restructuring and surface–adsorbate bond breaking can be combined when modeling surface reactions and contributes to the development of an advanced understanding of the nature of active site under reaction conditions.

catalyst dynamic restructuring↗

Hypersonic heat-transfer and transition correlations for a roughened shuttle orbiter

The effect of roughness on the heat transfer distributions and the transition criteria for the windward pitch plane of the shuttle orbiter at an angle of attack of 30 deg was studied using data obtained in hypersonic wind tunnels. The heat transfer distributions and the transition locations for the roughened models were compared with the corresponding data for smooth models. The data were correlated using theoretical solutions for a nonsimilar, laminar boundary layer subject to two different flow field models for the orbiter.

Bertin, J. J.↗