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At least 703 records · Page 39

Integrating the Fields of Catalysis: Active Site Engineering in Metal Cluster, Metal Organic Framework and Metal Single Site

Research evolved using nanoparticles synthesized and characterized under reaction conditions opened the door to study all three fields of catalysis: heterogeneous, homogenous, and enzyme. Fundamental studies of catalytic reactions ranging from hydrogenation to understand Fischer-Tropsch synthesis and isomerization ultimately led to the integration of three fields of catalysis. Our recent work on bridging heterogeneous, homogenous, and enzymatic catalysis was present including functionalization of dendrimer encapsulated metal clusters surface for lactonization, active site engineering in metal organic framework catalysts for methanol production and oligomerization, and single site catalyst for hydrogen production. We envision that the combination of active site engineering and unifying fields of catalysis could be applied to solve practical issues of science-based technology and develop new fields useful in energy research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of design selection on response surface performance

The mathematical formulation of the engineering optimization problem is given. Evaluation of the objective function and constraint equations can be very expensive in a computational sense. Thus, it is desirable to use as few evaluations as possible in obtaining its solution. In solving the equation, one approach is to develop approximations to the objective function and/or restraint equations and then to solve the equation using the approximations in place of the original functions. These approximations are referred to as response surfaces. The desirability of using response surfaces depends upon the number of functional evaluations required to build the response surfaces compared to the number required in the direct solution of the equation without approximations. The present study is concerned with evaluating the performance of response surfaces so that a decision can be made as to their effectiveness in optimization applications. In particular, this study focuses on how the quality of approximations is effected by design selection. Polynomial approximations and neural net approximations are considered.

Carpenter, William C.↗

NASA Glenn Research in Controls and Diagnostics for Intelligent Aerospace Propulsion Systems

With the increased emphasis on aircraft safety, enhanced performance and affordability, and the need to reduce the environmental impact of aircraft, there are many new challenges being faced by the designers of aircraft propulsion systems. The Controls and Dynamics Branch (CDB) at NASA (National Aeronautics and Space Administration) Glenn Research Center (GRC) in Cleveland, Ohio, is leading and participating in various projects in partnership with other organizations within GRC and across NASA, the U.S. aerospace industry, and academia to develop advanced controls and health management technologies that will help meet these challenges through the concept of Intelligent Propulsion Systems. This presentation describes the current CDB activities in support of the NASA Aeronautics Research Mission, with an emphasis on activities under the Integrated Vehicle Health Management (IVHM) and Integrated Resilient Aircraft Control (IRAC) projects of the Aviation Safety Program. Under IVHM, CDB focus is on developing advanced techniques for monitoring the health of the aircraft engine gas path with a focus on reliable and early detection of sensor, actuator and engine component faults. Under IRAC, CDB focus is on developing adaptive engine control technologies which will increase the probability of survival of aircraft in the presence of damage to flight control surfaces or to one or more engines. The technology development plans are described as well as results from recent research accomplishments.

Garg, Sanjay↗

Pattern formation on free surfaces via plastic buckling and periodic folding

Spontaneous formation of surface patterns such as folds and creases is widely observed in engineered systems, such as thin films and machined surfaces, as well as in natural systems such as floral petals and leaves. A recognized route for their formation is via surface elastic instabilities. Here we demonstrate an alternate route for their formation —plastic buckling and folding—that occurs when ductile materials are subject to large-strain (>1) deformation. Using in situ imaging of simple-shear deformation of polypropylene, we delineate the mechanics underlying formation of folds and the resulting surface morphology. Here, the fold pattern shows a single wavelength that scales linearly with the size of the plastic zone. An analytical model predicts onset of the plastic buckling instability and characteristics of the folds. Besides obvious applications for controllably generating surface features over large areas, our results suggest a contributing mechanism for origin of surface roughness in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Further results of natural laminar flow flight test experiments

Flight test experiments were conducted to measure the extent and nature of natural laminar flow on a smoothed test region of a swept-wing business jet wing. Surface hot film anemometry and sublimating chemicals were used for transition detection. Surface pressure distributions were measured using pressure belts. Engine noise was monitored by a microphone attached to the wing surface to study possible acoustic effects on stability of the laminar boundary layer. Side-slip conditions were flown to simulate changes in effective wing sweep. Flight instrumentation and ground data analysis techniques and a method for measuring intermittency of turbulence are described. Correlation was obtained between the hot film gage signals and chemicals for transition detection. Cross-flow vortices were observed for some flight conditions. Results of spectral and statistical analysis of the hot film signals for various flight test conditions are presented.

Wentz, W. H., Jr.↗

Over 11% Efficient Eco-Friendly Kesterite Solar Cell: Effects of S-Enriched Surface of Cu2ZnSn(S,Se)4 Absorber and Band Gap Controlled (Zn,Sn)O Buffer

For high efficiency kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cell, CdS thin film was usually used as a buffer layer. However, due to the toxicity of Cd and pollution problems involved from the solution-based chemical bath deposition, eco-friendly high efficiency CZTSSe solar cell with Cd-free buffer is necessary. As an Cd-free buffer layer, we investigated (Zn,Sn)O (ZTO) film deposited by sputtering method. In order to achieve high power conversion efficiency, we controlled energy band gaps of CZTSSe absorber as well as ZTO buffer, which was required to optimize conduction band offset (CBO) between the absorber and the buffer and to increase open circuit voltage (Voc) and fill factor (FF). The CBO was optimized by controlling the band gap of ZTO. By varying the Sn/(Zn + Sn) ratio and its deposition temperature, band gap of ZTO was successfully adjusted. Experimental and computational calculation results showed that solar cell performance was strongly affected by the CBO between absorber and buffer. Besides CBO matching, larger band gap of ZTO improved short circuit current density (Jsc) with enhanced external quantum efficiency value in blue photon spectrum range. As an additional way to improve power conversion efficiency of solar cell, band graded CZTSSe absorber was developed by using spray-based two-step process. The sprayed CZTSSe film was engineered to have S-enriched surface, which makes surface band gap widened and surface passivated, and resultantly increases Voc, Jsc and fill factor (FF). By controlling band gaps of both CZTSSe absorber and ZTO buffer, we obtained 11.22% environment-friendly CZTSSe solar cell without MgF2 anti-reflection coating.

(Zn↗

Dynamic PRA-Based Estimation of PWR Coping Time Using a Surrogate Model for Accident Tolerant Fuel

In this study, we propose an interpolation-based response surface surrogate methodology to manage a large number of scenarios in dynamic probabilistic risk assessment. It adopts the shape Dynamic Time Warping algorithm to cluster the interpolation neighborhood from time series sample data. The interpolation method was adapted from Taylor Kriging to allow a reduced-order model of the Taylor series. In order to demonstrate its applicability to complex issues in risk assessment for nuclear engineering, an example risk response surface to estimate emergency core cooling system (ECCS) criteria for triplex silicon carbide (SiC) accident-tolerant fuel was constructed. The response surface was exploited to estimate the cumulative failure probability of the fuel cladding structure due to the uncertainties in operator actions and safety systems. The functional failures were assessed based on a combination of individual layer failures computed by coupling Risk Analysis Virtual Environment software with a pressurized water reactor 1000-MW(electric) RELAP5 model and the in-house fuel performance assessment module. Results showed that SiC cladding failure probability spiked less than 1 min after a large-break loss-of- coolant accident whenever the current ECCS criteria for Zircaloy-4 (Zr-4) cladding was used. However, it still provides an increased safety margin of three orders of magnitude compared to Zr-4. This positive margin could be utilized to relax active ECCS requirements by allowing deviations of up to 450 s in its actuation time. The proposed surrogate methodology generated a response surface of SiC cladding failure probability reasonably well, with a significant savings of computation time. This methodology is expected to be useful in the analysis of system response with complex uncertainty sources.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Effect of Molecular Structure of Quinones and Carbon Electrode Surfaces on the Interfacial Electron Transfer Process

Quinones can undergo thermodynamically reversible proton-coupled electron transfer reactions and are being applied as electroactive compounds in aqueous organic batteries. However, the electrochemical reversibility of these compounds is affected not only by their molecular structure but also by the properties of a carbon-based electrode surface. This study combines experimental and theoretical approaches to understand this dependence. Specifically, we study the electron transfer kinetics of two synthesized quinone derivatives and two commercially available ones with a glassy carbon, a highly ordered pyrolytic graphite, and a high-edge-density graphite electrode (HEDGE). The electrochemical reversibility is notably improved on the HEDGE, which shows a higher density of defects and presents oxygenated functional groups at its surface. The electron transfer kinetics are controlled by adsorbed species onto the HEDGE. Molecular dynamics simulation and quantum mechanics calculations suggest defects with oxygen-containing functional groups, such as C-O and C$=$O, on HEDGE surfaces drive the interaction with the functional groups of the molecules, during physisorption from van der Waals forces. The presence of sulfonic acid side groups and a greater number of aromatic rings in the molecular structure may contribute to a higher stabilization of quinone derivatives on HEDGEs. We propose that high-performance carbon-based electrodes can be obtained without catalysts for organic batteries, by the engineering of carbon-based surfaces with edge-like defects and oxygenated functional groups.

25 ENERGY STORAGE↗

Calculation of the longitudinal aerodynamic characteristics of wing-flap configurations with externally blown flaps

A theoretical investigation was carried out to extend and improve an existing method for predicting the longitudinal characteristics of wing flap configurations with externally blown flaps (EBF). Two potential flow models were incorporated into the prediction method: a wing and flap lifting-surface model and a turbofan engine wake model. The wing-flap model uses a vortex-lattice approach to represent the wing and flaps. The jet wake model consists of a series of closely spaced vortex rings normal to a centerline which may have vertical and lateral curvature to conform to the local flow field beneath the wing and flaps. Comparisons of measured and predicted pressure distributions, span load distributions on each lifting surface, and total lift and pitching moment coefficients on swept and unswept EBF configurations are included. A wide range of thrust coefficients and flap deflection angles is considered at angles of attack up to the onset of stall. Results indicate that overall lift and pitching-moment coefficients are predicted reasonably well over the entire range. The predicted detailed load distributions are qualitatively correct and show the peaked loads at the jet impingement points, but the widths and heights of the load peaks are not consistently predicted.

Mendenhall, M. R.↗

Full scale upper surface blown flap noise

A highly noise suppressed TF 34 engine was used to investigate the noise of several powered lift configurations involving upper surface blown (USB) flaps. The configuration variables were nozzle type (i.e. slot and circular with deflector), flap chord length, and flap angle. The results of velocity surveys at both the nozzle exit and the flap trailing edge are also presented and used for correlation of the noise data. Configurations using a long flap design were 4 db quieter than a short flap typical of current trends in USB flap design. The lower noise for the long flap is attributed primarily to the greater velocity decay of the jet at the flap trailing edge. The full-scale data revealed substantially more quadrupole noise in the region near the deflected jet than observed in previous sub-scale tests.

Heidelberg, L. J.↗

Sample fields of the Viking landers, physical properties, and aeolian processes

Surface sampler activities on Mars during the Viking extended mission are considered, including excavation of deep trenches, construction of conical piles of materials, backhoe touchdown experiments, and acquisition of contiguous pictures of the surface beneath number 2 terminal descent engines using mirrors. Results of the Physical Properties Investigation that are relevant to aeolian processes are also discussed. Both pictures and surface sampler data indicate that the surface materials in the sample fields of the Viking landers may be grouped, in order of increasing strength, into drift material, crusty to cloddy material, blocky material and rocks.

Moore, H. J.↗

Electrostatic Evaluation of the SRB Velostat(Trademark) Pads

During RSRM Grain inspection, pads constructed of Velostat are grounded and installed in the RSRM bore enabling inspectors to move throughout the bore during the inspection. Velostat pads are installed by grounding the first pad installed and subsequent pads are installed overlapping the previously installed pad maintaining a conductive path to facility ground. Pads are removed upon completion of the inspection in a reverse fashion. As the pads are removed scanning of propellant surfaces is performed per OMRS. During PPICI Audit of B5308.006 (Forward Segment Grain Inspection) in October 07 one audit finding noted that electrostatic scanning of propellant surfaces was being performed during removal of conductive pads following grain inspection. ATK does not perform electrostatic scanning of propellant surfaces during pad removal following final inspection at the plant. The integrated team consisting of NASA SE, USA SE, USA QE, ATK LSS, ATK Systems Safety and ATK DE concurred that electrostatic scanning of propellant surfaces was unnecessary as the conductive pads are grounded. Additional time spent in bore performing scanning presents itself as additional risk. Technicians reported that they have never seen any voltage readings while scanning propellant surfaces during pad removal. USA Systems engineering has written KB 17530 in response to the finding which will delete the requirement (item 2 B47GEN.ll0) to scan propellant surfaces during pad removal. As a result of an E3 panel discussion on December 13, 2007, it was decided that verification of the electrical grounding of the Velostat pads be verified.

Buhler, Charles R.↗

Tubular copper thrust chamber design study

The use of copper tubular thrust chambers is particularly important in high performance expander cycle space engines. Tubular chambers have more surface area than flat wall chambers, and this extra surface area provides enhanced heat transfer for additional energy to power the cycle. This paper was divided into two sections: (1) a thermal analysis and sensitivity study; and (2) a preliminary design of a selected thrust chamber configuration. The thermal analysis consisted of a statistical optimization to determine the optimum tube geometry, tube booking, thrust chamber geometry, and cooling routing to achieve the maximum upper limit chamber pressure for a 25,000 pound thrust engine. The preliminary design effort produced a layout drawing of a tubular thrust chamber that is three inches shorter than the Advanced Expander Test Bed (AETB) milled channel chamber but is predicted to provide a five percent increase in heat transfer. Testing this chamber in the AETB would confirm the inherent advantages of tubular chamber construction and heat transfer.

Masters, A. I.↗

On the hot surface ignition of a wall-stagnating spray flame

The ignition of fuel sprays due to interaction with hot surfaces is an important phenomenon in the safety analysis of many engineering systems. We perform a parametric study of the hot surface ignition (HSI) of a fuel spray approaching a heated surface caused by the accidental leakage of a fuel line. Here, to this end, we employ a one-dimensional Eulerian-Eulerian formulation with a non-equilibrium evaporation model and a realistic chemical mechanism to describe $n$-dodecane fuel chemistry. We first describe and analyze the phenomenology of the unsteady processes leading to ignition using non-dimensionalized quantities. Through consideration of the temporal development of the most reactive mixture, we demonstrate that ignition occurs at a fuel-lean composition in a premixed region near the hot surface. Using non-dimensional parameters identified from the governing equations, we perform a parametric study of the time, location and local mixture composition at ignition and determine the ignition limits. We then identify the most important parametric sensitivities for physical analysis using a data-driven classification method. Our analysis demonstrates a contraction of the ignition limits with increased Stokes number and a regime of parametric insensitivity of igniting mixture composition. We also show that at high Damköhler numbers, the ignition location conforms to the parametric behavior of the thermal boundary layer, whereas at low Damköhler numbers approaching the ignition limit it reaches a near-unity value of the quenching Peclet number. We then compare the demonstrated parametric dependencies to the results of the quasi-steady asymptotic ignition literature, showing that our results are consistent with those obtained analytically within the limitations imposed by the simplified formulation of the latter.

42 ENGINEERING↗

A Hybrid CFD/Engineering Model Tool for Lunar Lander Surface Erosion Prediction

Plume-Surface Interaction (PSI) between lander engine plumes and landing area regolith poses risks to the landers and space exploration missions through view obscuration and high-energy ejecta impacts from eroded particle clouds and vehicle tilting from plume-induced craters. To address these risks, NASA MSFC Fluid Dynamics Branch (ER42) has developed a cascade of predictive simulation capabilities for PSI, including the recent development of a hybrid CFD/engineering model tool that allows for rapid PSI simulations with a descending/ascending vehicle and an eroding surface. The development of this fully-coupled, moving body/eroding surface simulation capability is detailed along with a demonstration of the tool’s capabilities on the Apollo 12 Lunar Module landing. Predictions of eroded mass flow rates as a function of time are verified against Apollo 12 flight data, from which the developed, viscous erosion model has been calibrated.

Plume Surface Interaction↗