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At least 1,063 records · Page 59

Fluorescent Detection of Carbon Disulfide by a Highly Emissive and Robust Isoreticular Series of Zr-Based Luminescent Metal Organic Frameworks (LMOFs)

Carbon disulfide (CS 2 ) is a highly volatile neurotoxic species. It is known to cause atherosclerosis and coronary artery disease and contributes significantly to sulfur-based pollutants. Therefore, effective detection and capture of carbon disulfide represents an important aspect of research efforts for the protection of human and environmental health. In this study, we report the synthesis and characterization of two strongly luminescent and robust isoreticular metal organic frameworks (MOFs) Zr 6 (µ 3- O) 4 (OH) 8 (tcbpe) 2 (H 2 O) 4 (here termed 1) and Zr 6 (µ 3- O) 4 (OH) 8 (tcbpe-f) 2 (H 2 O) 4 (here termed 2) and their use as fluorescent sensors for the detection of carbon disulfide. Both MOFs demonstrate a calorimetric bathochromic shift in the optical bandgap and strong luminescence quenching upon exposure to carbon disulfide. The interactions between carbon disulfide and the frameworks are analyzed by in-situ infrared spectroscopy and computational modelling by density functional theory. These results reveal that both the Zr metal node and organic ligand act as the preferential binding sites and interact strongly with carbon disulfide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The importance of freeze–thaw cycles for lateral tracer transport in ice-wedge polygons

Abstract. A significant portion of the Arctic coastal plain is classified as polygonal tundra and plays a vital role in soil carbon cycling. Recent research suggests that lateral transport of dissolved carbon could exceed vertical carbon releases to the atmosphere. However, the details of lateral subsurface flow in polygonal tundra have not been well studied. We incorporated a subsurface transport process into an existing state-of-the-art hydrothermal model. The model captures the physical effects of freeze–thaw cycles on lateral flow in polygonal tundra. The new modeling capability enables non-reactive tracer movement within subsurface. We utilized this new capability to investigate the impact of freeze–thaw cycles on lateral flow in the polygonal tundra. Our study indicates the important role of freeze–thaw cycles and the freeze-up effect in lateral tracer transport, suggesting that dissolved species could be transported from the middle of the polygon to the sides within a couple of thaw seasons. Introducing lateral carbon transport into the climate models could substantially reduce the uncertainty associated with the impact of thawing permafrost.

54 ENVIRONMENTAL SCIENCES↗

Design and analysis of a wake model for spatially heterogeneous flow

Abstract. Methods of turbine wake modeling are being developed to more accurately account for spatially variant atmospheric conditions within wind farms. Most current wake modeling utilities are designed to apply a uniform flow field to the entire domain of a wind farm. When this method is used, the accuracy of power prediction and wind farm controls can be compromised depending on the flow-field characteristics of a particular area. In an effort to improve strategies of wind farm wake modeling and power prediction, FLOw Redirection and Induction in Steady State (FLORIS) was developed to implement sophisticated methods of atmospheric characterization and power output calculation. In this paper, we describe an adapted FLORIS model that features spatial heterogeneity in flow-field characterization. This model approximates an observed flow field by interpolating from a set of atmospheric measurements that represent local weather conditions. The objective of this method is to capture heterogeneous atmospheric effects caused by site-specific terrain features, without explicitly modeling the geometry of the wind farm terrain. The implemented adaptations were validated by comparing the simulated power predictions generated from FLORIS to the actual recorded wind farm output from the supervisory control and data acquisition (SCADA) recordings and large eddy simulations (LESs). When comparing the performance of the proposed heterogeneous model to homogeneous FLORIS simulations, the results show a 14.6 % decrease for mean absolute error (MAE) in wind farm power output predictions for cases using wind farm SCADA data and a 18.9 % decrease in LES case studies. The results of these studies also indicate that the efficacy of the proposed modeling techniques may vary with differing site-specific operational conditions. This work quantifies the accuracy of wind plant power predictions under heterogeneous flow conditions and establishes best practices for atmospheric surveying for wake modeling.

17 WIND ENERGY↗

Microtubules soften due to cross-sectional flattening

We use optical trapping to continuously bend an isolated microtubule while simultaneously measuring the applied force and the resulting filament strain, thus allowing us to determine its elastic properties over a wide range of applied strains. We find that, while in the low-strain regime, microtubules may be quantitatively described in terms of the classical Euler-Bernoulli elastic filament, above a critical strain they deviate from this simple elastic model, showing a softening response with increasing deformations. A three-dimensional thin-shell model, in which the increased mechanical compliance is caused by flattening and eventual buckling of the filament cross-section, captures this softening effect in the high strain regime and yields quantitative values of the effective mechanical properties of microtubules. Our results demonstrate that properties of microtubules are highly dependent on the magnitude of the applied strain and offer a new interpretation for the large variety in microtubule mechanical data measured by different methods.

59 BASIC BIOLOGICAL SCIENCES↗

Steady flow approximations to the helium r-process

A steady flow approximation to the r-process is presented and used for numerical experiments with physical quantities to determine the sensitivity of the process to variations in those quantities. The effect of neutron capture cross sections along the capture path and of recently available improved beta decay rates on the r-process are discussed. The peaks in the observed r-process yield curve near mass numbers 80 and 130 are roughly characterized by a neutron number density of 10 to the 20th per cu/cm; the mean beta decay rates are about 10/s, and the freezing time is comparable to or less than 0.1 s. The peak near mass number 195 is roughly characterized by a neutron number density of 10 to the 21st/cm, the mean beta decay rates are about 100/s, and the freezing time is comparable to or less than 0.01 s. The flow path of the steady state r-process is sensitively dependent upon the neutron capture cross sections in the flow network and on the values of the beta decay rates.

Cameron, A. G. W.↗

Numerical simulation of helicopter multi-bladed rotor flow

A numerical method for solving the Euler equations for multiblade rotors has been developed. The computed results, including one nonlifting forward-flight and several lifting hovering cases, are compared with experimental data. For forward-flight case, the unsteady growth and decay of the shock agree well with experimental results. For hovering case, at low and moderate transonic tip speed, the results show good agreement with experimental data in the tip region. The near-wake effects can be captured without wake modeling.

Chen, C. L.↗

Prediction of high temperature metal matrix composite ply properties

The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.

Caruso, J. J.↗

Turbulent thermal convection in a differentially rotating channel

Differentially rotating disks of gases and solids occur in several astrophysical systems, in particular in the inner parts of protostellar nebulae, of which our own solar system is thought to be a relic. The objectives of this paper are to: (1) study localized turbulence in circumstances approximating those found in accretion disks using previously existing expertise in performing direct numerical simulation of turbulent, incompressible channel flows with low Reynolds numbers; (2) determine the limitations of such calculations; and (3) extend the type of numerical simulation (e.g., to include density and stratification and compressibility effects and to accommodate higher Reynolds numbers with sub-grid scale modeling) so that the relevant physical effects are realistically captured.

Cabot, W.↗

On prediction of equilibrium states in homogeneous compressible turbulence

Direct numerical simulations of compressible, homogeneous, turbulent shear flows are used to evaluate Reynolds stress models. Three pressure-strain models, which are either linear, quadratic, or cubic in the anisotropy tensor are considered. Dilatational dissipation and pressure-strain correlation models do not correctly capture the compressibility effects seen in the direct simulations. In particular, the increase in the anisotropy of normal stresses and the reduction in the shear stress are not reproduced by any of the models. Also, the use of the incompressible form of the dissipation-rate equation to determine the solenoidal part of the dissipation is found to be questionable.

Abid, Ridha↗

A novel potential/viscous flow coupling technique for computing helicopter flow fields

The primary objective of this work was to demonstrate the feasibility of a new potential/viscous flow coupling procedure for reducing computational effort while maintaining solution accuracy. This closed-loop, overlapped velocity-coupling concept has been developed in a new two-dimensional code, ZAP2D (Zonal Aerodynamics Program - 2D), a three-dimensional code for wing analysis, ZAP3D (Zonal Aerodynamics Program - 3D), and a three-dimensional code for isolated helicopter rotors in hover, ZAPR3D (Zonal Aerodynamics Program for Rotors - 3D). Comparisons with large domain ARC3D solutions and with experimental data for a NACA 0012 airfoil have shown that the required domain size can be reduced to a few tenths of a percent chord for the low Mach and low angle of attack cases and to less than 2-5 chords for the high Mach and high angle of attack cases while maintaining solution accuracies to within a few percent. This represents CPU time reductions by a factor of 2-4 compared with ARC2D. The current ZAP3D calculation for a rectangular plan-form wing of aspect ratio 5 with an outer domain radius of about 1.2 chords represents a speed-up in CPU time over the ARC3D large domain calculation by about a factor of 2.5 while maintaining solution accuracies to within a few percent. A ZAPR3D simulation for a two-bladed rotor in hover with a reduced grid domain of about two chord lengths was able to capture the wake effects and compared accurately with the experimental pressure data. Further development is required in order to substantiate the promise of computational improvements due to the ZAPR3D coupling concept.

Summa, J. Michael↗

Microcracking in composite laminates under thermal and mechanical loading

Composites used in space structures are exposed to both extremes in temperature and applied mechanical loads. Cracks in the matrix form, changing the laminate thermoelastic properties. The goal of the present investigation is to develop a predictive methodology to quantify microcracking in general composite laminates under both thermal and mechanical loading. This objective is successfully met through a combination of analytical modeling and experimental investigation. In the analysis, the stress and displacement distributions in the vicinity of a crack are determined using a shear lag model. These are incorporated into an energy based cracking criterion to determine the favorability of crack formation. A progressive damage algorithm allows the inclusion of material softening effects and temperature-dependent material properties. The analysis is implemented by a computer code which gives predicted crack density and degraded laminate properties as functions of any thermomechanical load history. Extensive experimentation provides verification of the analysis. AS4/3501-6 graphite/epoxy laminates are manufactured with three different layups to investigate ply thickness and orientation effects. Thermal specimens are cooled to progressively lower temperatures down to -184 C. After conditioning the specimens to each temperature, cracks are counted on their edges using optical microscopy and in their interiors by sanding to incremental depths. Tensile coupons are loaded monotonically to progressively higher loads until failure. Cracks are counted on the coupon edges after each loading. A data fit to all available results provides input parameters for the analysis and shows them to be material properties, independent of geometry and loading. Correlation between experiment and analysis is generally very good under both thermal and mechanical loading, showing the methodology to be a powerful, unified tool. Delayed crack initiation observed in a few cases is attributed to a lack of preexisting flaws assumed by the analysis. Some interactions between adjacent ply groups are attributed to local stress concentrations. These two effects are not captured by the analysis due to its global nature. The analysis is conservative in these cases and agrees well with data after the observed onset of cracking.

Maddocks, Jason R.↗

Application of the k-epsilon-v(exp 2) model to multi-component airfoils

Flow computations around two-element and three-element configurations are presented and compared to detailed experimental measurements. The k-epsilon-v(exp 2)(bar) model has been applied and the ability of the model to capture streamline curvature effects, wake-boundary layer confluence, and laminar/turbulent transition is discussed. The numerical results are compared to experimental datasets that include mean quantities (velocity and pressure coefficient) and turbulent quantities (Reynolds normal and shear stresses).

Iaccarino, G.↗

Comparison of N2O Emissions from Soils at Three Temperate Agricultural Sites

Nitrous oxide (N2O) flux simulations by four models were compared with year-round field measurements from five temperate agricultural sites in three countries. The field sites included an unfertilized, semi-arid rangeland with low N2O fluxes in eastern Colorado, USA; two fertilizer treatments (urea and nitrate) on a fertilized grass ley cut for silage in Scotland; and two fertilized, cultivated crop fields in Germany where N2O loss during the winter was quite high. The models used were daily trace gas versions of the CENTURY model, DNDC, ExpertN, and the NASA-Ames version of the CASA model. These models included similar components (soil physics, decomposition, plant growth, and nitrogen transformations), but in some cases used very different algorithms for these processes. All models generated similar results for the general cycling of nitrogen through the agro-ecosystems, but simulated nitrogen trace gas fluxes were quite different. In most cases the simulated N20 fluxes were within a factor of about 2 of the observed annual fluxes, but even when models produced similar N2O fluxes they often produced very different estimates of gaseous N loss as nitric oxide (NO), dinitrogen (N2), and ammonia (NH3). Accurate simulation of soil moisture appears to be a key requirement for reliable simulation of N2O emissions. All models simulated the general pattern of low background fluxes with high fluxes following fertilization at the Scottish sites, but they could not (or were not designed to) accurately capture the observed effects of different fertilizer types on N2O flux. None of the models were able to reliably generate large pulses of N2O during brief winter thaws that were observed at the two German sites. All models except DNDC simulated very low N2O fluxes for the dry site in Colorado. The US Trace Gas Network (TRAGNET) has provided a mechanism for this model and site intercomparison. Additional intercomparisons are needed with these and other models and additional data sets; these should include both tropical agro-ecosystems and new agricultural management techniques designed for sustainability.

Frolking, S. E.↗

Characterization of Unsteady Flow Structures Near Landing-Edge Slat: 2D Computations - Part 2

In our previous computational studies of a generic high-lift configuration, quasi-laminar (as opposed to fully turbulent) treatment of the slat cove region proved to be an effective approach for capturing the unsteady dynamics of the cove flow field. Combined with acoustic propagation via Ffowes Williams and Hawkings formulation, the quasi-laminar simulations captured some important features of the slat cove noise measured with microphone array techniques. However. a direct assessment of the computed cove flow field was not feasible due to the unavailability of off-surface flow measurements. To remedy this shortcoming, we have undertaken a combined experiment and computational study aimed at characterizing the flow structures and fluid mechanical processes within the slat cove region. Part I of this paper outlines the experimental aspects of this investigation focused on the 30P30N high-lift configuration; the present paper describes the accompanying computational results including a comparison between computation and experiment at various angles of attack. Even through predictions of the time-averaged flow field agree well with the measured data, the study indicates the need for further refinement of the zonal turbulence approach in order to capture the full dynamics of the cove's fluctuating flow field.

Khorrami, Mehdi↗

Evaluation of a Compression-Loaded-Stitched-Multi-Bay Fuselage Panel With Barely Visible Impact Damage

The experimental results from a stitched VaRTM carbon-epoxy composite panel tested under uni-axial compression loading are presented along with nonlinear finite element analysis prediction of the response. The curved panel is divided by frames and stringers into six bays with a column of three bays along the compressive loading direction. The frames are supported at the frame ends to resist out-of-plane translation. Back-to-back strain gages are used to record the strain and displacement transducers were used to record the out-of-plane displacements. In addition a full-field-displacement measurement technique that utilizes a camera-based-stereo-vision system was used to record the displacements. The panel was loaded to 1.5 times the predicted initial buckling load (1st bay buckling load, P(sub er) from the nonlinear finite element analysis and then was removed from the test machine for impact testing. After impacting with 20 ft-lbs of energy using a spherical impactor to produce barely visible damage the panel was loaded in compression until failure. The buckling load of the first bay to buckle was 97% of the buckling load before impact. The stitching constrained the impact damage from growing during the loading to failure. Impact damage had very little overall effect on panel stiffness. Panel stiffness measured by the full-field-displacement technique indicated a 13% loss in stiffness after impact. The panel failed at 1.64 times the first panel buckling load. The barely visible impact damage did not grow noticeably as the panel failed by global instability due to stringer-web terminations at the frame locations. The predictions from the nonlinear analysis of the finite element modeling of the entire specimen were very effective in the capture of the initial buckling and global behavior of the panel. In addition, the prediction highlighted the weakness of the panel under compression due to stringer web terminations. Both the test results and the nonlinear predictions serve to reinforce the severe penalty in structural integrity caused by the low cost manufacturing technique to terminate the stringer webs, and demonstrates the importance of this type of sub-component testing and high fidelity failure analysis in the design of a composite fuselage.

Baker, Donald J.↗

Compressive Failure of Fiber Composites under Multi-Axial Loading

This paper examines the compressive strength of a fiber reinforced lamina under multi-axial stress states. An equilibrium analysis is carried out in which a kinked band of rotated fibers, described by two angles, is sandwiched between two regions in which the fibers are nominally straight. Proportional multi-axial stress states are examined. The analysis includes the possibility of bifurcation from the current equilibrium state. The compressive strength of the lamina is contingent upon either attaining a load maximum in the equilibrium response or satisfaction of a bifurcation condition, whichever occurs first. The results show that for uniaxial loading a non-zero kink band angle beta produces the minimum limit load. For multi-axial loading, different proportional loading paths show regimes of bifurcation dominated and limit load dominated behavior. The present results are able to capture the beneficial effect of transverse compression in raising the composite compressive strength as observed in experiments.

Basu, Shiladitya↗

Runtime and Pressurization Analyses of Propellant Tanks

Multi-element unstructured CFD has been utilized at NASA SSC to carry out analyses of propellant tank systems in different modes of operation. The three regimes of interest at SSC include (a) tank chill down (b) tank pressurization and (c) runtime propellant draw-down and purge. While tank chill down is an important event that is best addressed with long time-scale heat transfer calculations, CFD can play a critical role in the tank pressurization and runtime modes of operation. In these situations, problems with contamination of the propellant by inclusion of the pressurant gas from the ullage causes a deterioration of the quality of the propellant delivered to the test article. CFD can be used to help quantify the mixing and propellant degradation. During tank pressurization under some circumstances, rapid mixing of relatively warm pressurant gas with cryogenic propellant can lead to rapid densification of the gas and loss of pressure in the tank. This phenomenon can cause serious problems during testing because of the resulting decrease in propellant flow rate. With proper physical models implemented, CFD can model the coupling between the propellant and pressurant including heat transfer and phase change effects and accurately capture the complex physics in the evolving flowfields. This holds the promise of allowing the specification of operational conditions and procedures that could minimize the undesirable mixing and heat transfer inherent in propellant tank operation. It should be noted that traditional CFD modeling is inadequate for such simulations because the fluids in the tank are in a range of different sub-critical and supercritical states and elaborate phase change and mixing rules have to be developed to accurately model the interaction between the ullage gas and the propellant. We show a typical run-time simulation of a spherical propellant tank, containing RP-1 in this case, being pressurized with room-temperature nitrogen at 540 R. Nitrogen, shown in blue on the right-hand side of the figures, enters the tank from the diffuser at the top of the figures and impinges on the RP-1, shown in red, while the propellant is being continuously drained at the rate of 1050 lbs/sec through a pipe at the bottom of the tank. The sequence of frames in Figure 1 shows the resultant velocity fields and mixing between nitrogen and RP-1 in a cross-section of the tank at different times. A vortex is seen to form in the incoming nitrogen stream that tends to entrain propellant, mixing it with the pressurant gas. The RP-1 mass fraction contours in Figure 1 are also indicative of the level of mixing and contamination of the propellant. The simulation is used to track the propagation of the pure propellant front as it is drawn toward the exit with the evolution of the mixing processes in the tank. The CFD simulation modeled a total of 10 seconds of run time. As is seen from Figure 1d, after 5.65 seconds the propellant front is nearing the drain pipe, especially near the center of the tank. Behind this pure propellant front is a mixed fluid of compromised quality that would require the test to end when it reaches the exit pipe. Such unsteady simulations provide an estimate of the time that a high-quality propellant supply to the test article can be guaranteed at the modeled mass flow rate. In the final paper, we will discuss simulations of the LOX and propellant tanks at NASA SSC being pressurized by an inert ullage. Detailed comparisons will be made between the CFD simulations and lower order models as well as with test data. Conditions leading to cryo collapse in the tank will also be identified.

Field, Robert E.↗