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At least 181 records · Page 10

Early Events in the Folding of an Amphipathic Peptide A Multi- Nanosecond Molecular Dynamics Study

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations over 161.5 nanoseconds. Initially placed in the aqueous phase as a beta-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presence of non-amphipathic structures throughout the complete trajectory indicate- that the corresponding conformations are strongly disfavored at the interface. It is further suggestive that folding in an interfacial environment proceeds through a pathway of successive amphipathic intermediates. The energetic and entropic penalties involved in the conformational changes along this pathway markedly increase the folding time-scales of LQQLLQQLLQL, explaining why the alpha-helix, the hypothesized lowest free energy structure for a sequence with a hydrophobic periodicity of 3.6, has not been reached yet. The formation of a type I beta-turn at the end of the simulation confirms the importance of such motifs as initiation sites allowing the peptide to coalesce towards a secondary structure.

Chipot, Christophe↗

Design and Performance of McRas in SCMs and GEOS I/II GCMs

The design of a prognostic cloud scheme named McRAS (Microphysics of clouds with Relaxed Arakawa-Schubert Scheme) for general circulation models (GCMs) will be discussed. McRAS distinguishes three types of clouds: (1) convective, (2) stratiform, and (3) boundary-layer types. The convective clouds transform and merge into stratiform clouds on an hourly time-scale, while the boundary-layer clouds merge into the stratiform clouds instantly. The cloud condensate converts into precipitation following the auto-conversion equations of Sundqvist that contain a parametric adaptation for the Bergeron-Findeisen process of ice crystal growth and collection of cloud condensate by precipitation. All clouds convect, advect, as well as diffuse both horizontally and vertically with a fully interactive cloud-microphysics throughout the life-cycle of the cloud, while the optical properties of clouds are derived from the statistical distribution of hydrometeors and idealized cloud geometry. An evaluation of McRAS in a single column model (SCM) with the GATE Phase III and 5-ARN CART datasets has shown that together with the rest of the model physics, McRAS can simulate the observed temperature, humidity, and precipitation without many systematic errors. The time history and time mean incloud water and ice distribution, fractional cloudiness, cloud optical thickness, origin of precipitation in the convective anvil and towers, and the convective updraft and downdraft velocities and mass fluxes all show a realistic behavior. Performance of McRAS in GEOS 11 GCM shows several satisfactory features but some of the remaining deficiencies suggest need for additional research involving convective triggers and inhibitors, provision for continuously detraining updraft, a realistic scheme for cumulus gravity wave drag, and refinements to physical conditions for ascertaining cloud detrainment level.

Sud, Yogesh C.↗

Engineering of Novel Biocolloid Suspensions

Colloidal suspensions are materials with a variety of uses from cleaners and lubricants to food, cosmetics, and coatings. In addition, they can be used as a tool for testing the fundamental tenets of statistical physics. Colloidal suspensions can be synthesized from a wide variety of materials, and in the form of monodisperse particles, which can self-assemble into highly ordered colloidal crystal structures. As such they can also be used as templates for the construction of highly ordered materials. Materials design of colloids has, to date, relied on entropic self-assembly, where crystals form as result of lower free energy due to a transition to order. Here, our goal is to develop a completely new method for materials fabrication using colloidal precursors, in which the self-assembly of the ordered colloidal structures is driven by a highly controllable, attractive interaction. This will greatly increase the range of potential structures that can be fabricated with colloidal particles. In this work, we demonstrate that colloidal suspensions can be crosslinked through highly specific biological crosslinking reactions. In particular, the molecules we use are protein-carbohydrate interactions derived from the immune system. This different driving force for self-assembly will yield different and novel suspensions structures. Because the biological interactions are heterotypic (A binding to B), this chemical system can be used to make binary alloys in which the two colloid subpopulations vary in some property - size, density, volume fraction, magnetic susceptibility, etc. An additional feature of these molecules which is unique - even within the realm of biological recognition - is that the molecules bind reversibly on reasonable time-scales, which will enable the suspension to sample different configurations, and allow us to manipulate and measure the size of the suspension dynamically. Because of the wide variety of structures that can be made from these novel colloids, and because the suspension structure can be altered dynamically, we believe this biocolloid system will yield a novel set of materials with many technological applications, including sensors (both biological and non-biological), optical filters and separation media.

Hammer, D. A.↗

On Utilization of NEXRAD Scan Strategy Information to Infer Discrepancies Associated With Radar and Rain Gauge Surface Volumetric Rainfall Accumulations

To evaluate the Tropical Rainfall Measuring Mission (TRMM) monthly Ground Validation (GV) rain map, 42 quality controlled tipping bucket rain gauge data (1 minute interpolated rain rates) were utilized. We have compared the gauge data to the surface volumetric rainfall accumulation of NEXRAD reflectivity field, (converting to rain rates using a 0.5 dB resolution smooth Z-R table). The comparison was carried out from data collected at Melbourne, Florida during the month of July 98. GV operational level 3 (L3 monthly) accumulation algorithm was used to obtain surface volumetric accumulations for the radar. The gauge records were accumulated using the 1 minute interpolated rain rates while the radar Volume Scan (VOS) intervals remain less than or equal to 75 minutes. The correlation coefficient for the radar and gauge totals for the monthly time-scale remain at 0.93, however, a large difference was noted between the gauge and radar derived rain accumulation when the radar data interval is either 9 minute, or 10 minute. This difference in radar and gauge accumulation is being explained in terms of the radar scan strategy information. The discrepancy in terms of the Volume Coverage Pattern (VCP) of the NEXRAD is being reported where VCP mode is ascertained using the radar tilt angle information. Hourly radar and gauge accumulations have been computed using the present operational L3 method supplemented with a threshold period of +/- 5 minutes (based on a sensitivity analysis). These radar and gauge accumulations are subsequently improved using a radar hourly scan weighting factor (taking ratio of the radar scan frequency within a time bin to the 7436 total radar scans for the month). This GV procedure is further being improved by introducing a spatial smoothing method to yield reasonable bulk radar to gauge ratio for the hourly and daily scales.

Roy, Biswadev↗

Thresholds in Atmosphere-Soil Moisture Interactions: Results from Climate Model Studies

The potential predictability of the effects of warm season soil moisture anomalies over the central U.S. has been investigated using a series of GCM (Global Climate Model) experiments with the NCAR (National Center for Atmospheric Research) CCM3 (Community Climate Model version 3)/LSM (Land Surface Model). Three different types of experiments have been made, all starting in either March (representing precursor conditions) or June (conditions at the onset of the warm season): (1) 'anomaly' runs with large, exaggerated initial soil moisture reductions, aimed at evaluating the physical mechanisms by which soil moisture can affect the atmosphere; (2) 'predictability' runs aimed at evaluating whether typical soil moisture initial anomalies (indicative of year-to-year variability) can have a significant effect, and if so, for how long; (3) 'threshold' runs aimed at evaluating if a soil moisture anomaly must be of a specific size (i.e., a threshold crossed) before a significant impact on the atmosphere is seen. The 'anomaly' runs show a large, long-lasting response in soil moisture and also quantities such as surface temperature, sea level pressure, and precipitation; effects persist for at least a year. The 'predictability' runs, on the other hand, show very little impact of the initial soil moisture anomalies on the subsequent evolution of soil moisture and other atmospheric parameters; internal variability is most important, with the initial state of the atmosphere (representing remote effects such as SST anomalies) playing a more minor role. The 'threshold' runs, devised to help resolve the dichotomy in 'anomaly' and 'predictability' results, suggest that, at least in CCM3/LSM, the vertical profile of soil moisture is the most important factor, and that deep soil zone anomalies exert a more powerful, long-lasting effect than do anomalies in the near surface soil zone. We therefore suggest that soil moisture feedbacks may be more important in explaining prolonged decadal to century-long droughts evident in the historic and recent prehistoric records, but less important on a seasonal to interannual time-scale.

Oglesby, Robert J.↗

The Steady Spin-down Rate of 4U 1907+09

Using X-ray data from the Rossi X-ray Timing Explorer, we report the pulse timing results of the accretion-powered, high-mass X-ray binary pulsar 4UU 1907+09, covering a time-span of almost two years. We measured three new pulse periods in addition to the previously measured four pulse periods. We are able to connect pulse arrival times in phase for more than a year. The source has been spinning down almost at a constant rate, with a spin-down rate of v = (- 3.54 +/- 0.02) x 10(exp -14) Hz s(exp -1) for more than 15 yr. Residuals of pulse arrival times yield a very low level of random-walk noise, with a strength of approximately 2 x 10(exp -20) rad(exp 2) s(exp -3) on a time-scale of 383 d, which is 40 times lower than that of the high-mass X-ray binary pulsar Vela X-1. The noise strength is only a factor of five greater than that of the low-mass X-ray binary pulsar 4U 1626-67. The low level of the timing noise and the very stable spin-down rate of 4U 1907+09 make this source unique among the high-mass X-ray binary pulsars, providing another example, in addition to 4U 1626-67, of long-term quiet spin down from an accruing source. These examples show that the extended quiet spin-down episodes observed in the anomalous X-ray pulsars 1RXS J170849.0-400910 and 1E 2259+586 do not necessarily imply that these sources are not accreting pulsars.

Baykal, Altan↗

Attributes of GRB Pulses: Analysis of BATSE TTE Data

Our extensive program of modeling GRB profiles is aimed at elucidating the physical processes responsible for the burst itself, as well as possible extrinsic phenomena (e.g. time dilation) as discussed in another paper in this Symposium (Norris et al., "GRB PROFILES AS COSMIC PROBES"). We have developed special methods to extract the wealth of short time-scale information contained in the BATSE time-tag event (TTE) data. Our algorithm yields a piecewise-constant representation of the light curve -- using only the raw photon arrival times, and based on Bayesian change-point methods. This representation in effect lets the data determine the bin size and location, and avoids unwanted effects due to arbitrary choices of the bin parameters. We have determined widths, separations, and amplitudes of pulses contained in the bursts, without invoking a specific pulse model. The effect of cosmic time dilation can be easily seen in a direct plot of amplitude vs. time scale for individual pulses, without the need to lump the data into a small number of brightness classes. We are also performing noise equalization on these data (to reduce a well-known bias of pulse width as a function of signal-to-noise ratio), as well as fits of parametric pulse-shape models -- including explicit energy dependence of the pulse parameters. Such refinements are expected to improve the quality and physical significance of these results.

Norris, J. P.↗

Star Formation in the Galaxy and the Fluctuating UV Radiation Field

We examine the formation of massive stars in the Galaxy, the resultant fluctuating UV radiation field, and the effect of this field on the star-forming interstellar medium (ISM). There are substantial fluctuations of the UV radiation field in space (scales of 100's of parsecs) and time (time-scales of order 100 million years) at the solar circle. The Far Ultraviolet (FUV) (6 eV< hv < 13.6 eV) field and the pressure determines whether the thermal balance of the neutral gas results in cold clouds or warm (T - 10(exp 4) neutral medium. We show how to calculate the average fractions of the gas in the cold and warm phases when the interstellar gas is subject to this fluctuating FUV field. The knowledge of how these fractions depend on the gas properties and on the FUV sources is a basic step in building a model of the large scale behavior of the ISM and the mutual relation between the ISM and the star formation rate. Application is made to observations of spiral galaxies which correlate the star formation rate per unit area with the surface density of the gas. We acknowledge support from the NASA Astrophysical Theory program.

Hollenbach, David↗

Star Formation In the Galaxy and the Fluctuating UV Radiation Field

We examine the formation of massive stars in the Galaxy, the resultant fluctuating UV (ultraviolet) radiation field, and the effect of this field on the star-forming interstellar medium. There are substantial fluctuations of the UV radiation field in space (scales of 100's of parsecs) and time (time-scales of order 100 million years). The FUV (far ultraviolet) (6 eV less than hv less than 13.6 eV) field and the pressure determines whether the thermal balance of the neutral gas results in cold clouds or warm (T approx. 10(exp 4) K) neutral medium. We show how to calculate the average fractions of the gas in the cold and warm phases when the interstellar gas is subject to this fluctuating FUV field. The knowledge of how these fractions depend on the gas properties and on the FUV sources is a basic step in building a model of the large scale behavior of the ISM (interstellar medium) and the mutual relation between the ISM and the star formation rate.

Hollenbach, David↗

Reusable Launch Vehicle Attitude Control Using a Time-Varying Sliding Mode Control Technique

In this paper we present a time-varying sliding mode control (TVSMC) technique for reusable launch vehicle (RLV) attitude control in ascent and entry flight phases. In ascent flight the guidance commands Euler roll, pitch and yaw angles, and in entry flight it commands the aerodynamic angles of bank, attack and sideslip. The controller employs a body rate inner loop and the attitude outer loop, which are separated in time-scale by the singular perturbation principle. The novelty of the TVSMC is that both the sliding surface and the boundary layer dynamics can be varied in real time using the PD-eigenvalue assignment technique. This salient feature is used to cope with control command saturation and integrator windup in the presence of severe disturbance or control effector failure, which enhances the robustness and fault tolerance of the controller. The TV-SMC ascent and descent designs are currently being tested with high fidelity, 6-DOF dispersion simulations. The test results will be presented in the final version of this paper.

Shtessel, Yuri B.↗

Assembly of Colloidal Materials Using Bioadhesive Interactions

We have pursued the use of biological crosslinking molecules of several types to make colloidal materials at relatively low volume fraction of colloidal particles. The objective is to make binary alloys of colloidal particles, made of two different colloidal particles coated with complementary biological lock-and-key binding molecules, which assemble due to the biological specificity. The long-term goal is to use low affinity lock-and-key biological interactions, so that the can anneal to form crystalline states. We have used a variety of different surface chemistries in order to make colloidal materials. Our first system involved using selectin-carbohydrate (sialyl-Lewis) interactions; this chemistry is derived from immune system. This chemical interaction is of relatively low affinity, with timescales for dissociation of several seconds. Furthermore, the adhesion mediated by these molecules can be reversed by the chelation of calcium atoms; thus assembled structures can be disassembled reversibly. Our second system employed avidin-biotin chemistry. This well-studied system is of high affinity, and is generally irreversible on a laboratory time-scale. Thus, we would expect selectin-carbohydrate interactions at high molecular density and avidin-biotin interactions to give kinetically-trapped structures; however, at low densities, we would expect significant differences in the structure and dynamics of the two materials, owing to their very different release rates. We have also begun to use a third chemistry - DNA hybridization. By attaching single stranded DNA oligonucleotide chains to beads, we can drive the assembly of colloidal materials by hybridization of complementary DNA chains. It is well known that DNA adenosine-thymine (A-T) and guanine-cytosine (G-C) bases hybridize pairwise with a Gibbs free energy change of 1.7 kcal/mol per base; thus, the energy of the assembly can be modulated by altering the number of complementary bases in the DNA chains. Using these different crosslinking molecules, we have assembled colloidal materials from different-sized colloidal particles, A and B. In the first sets of experiment, we used high densities of adhesion molecules, and 0.96 micron (A) and 5.5 micron (B) diameter particles. The high density of adhesion molecules means that the structures are kinetically trapped in nonequilibrium configurations. The structure of the suspension can be varied by changing the number ratio of the two types of colloidal particles, NA and NB, where A is the smaller particle. With carbohydrate-selectin or avidin-biotin interactions, large NA/NB leads to the formation of colloidal micelles, with the large center B particle surrounded by many smaller A particles. As the ratio NA/NB decreases, the structures become more extended, approaching the formation of macro-Rouse polymers - extended linear chains where A beads are connected with intervening small B linkers.

Hammer, Daniel A.↗

Splashing Droplets

Current data on droplet breakup is scarce for the sizes and velocities typical of practical applications such as in spray combustion processes and coating processes. While much more representative of practical applications, the small spatial scales and rapid time-scales prevent detailed measurement of the internal fluid dynamics and liquid property gradients produced by impinging upon surfaces. Realized through the extended spatial and temporal scales afforded by a microgravity environment, an improved understanding of drop breakup dynamics is sought to understand and ultimately control the impingement dynamics of droplets upon surfaces in practical situations. The primary objective of this research will be to mark the onset of different 'splashing modes' and to determine their temperature, pressure and angle dependence for impinging droplets representative of practical fluids. In addition, we are modeling the evolution of droplets that do not initially splash but rather undergo a 'fingering' evolution observed on the spreading fluid front and the transformation of these fingers into splashed products. An example of our experimental data is presented below. These images are of Isopar V impacting a mirror-polished surface. They were acquired using a high-speed camera at 1000 frames per second. They show the spreading of a single droplet after impact and ensuing finger instabilities. Normal gravity experimental data such as this will guide low gravity measurements in the 2.2 second drop tower and KC-135 aircraft as available. Presently we are in the process of comparing the experimental data of droplet shape evolution to numerical models, which can also capture the internal fluid dynamics and liquid property gradients such as produced by impingement upon a heated surface. To-date isothermal numerical data has been modeled using direct numerical simulations of representative splashing droplets. The data obtained so far indicates that the present model describes well the droplet wall interactions to a point in time just before splash. Additional information is included in the original extended abstract.

VanderWal, Randall L.↗

Improved Re-Configurable Sliding Mode Controller for Reusable Launch Vehicle of Second Generation Addressing Aerodynamic Surface Failures and Thrust Deficiencies

In this report we present a time-varying sliding mode control (TV-SMC) technique for reusable launch vehicle (RLV) attitude control in ascent and entry flight phases. In ascent flight the guidance commands Euler roll, pitch and yaw angles, and in entry flight it commands the aerodynamic angles of bank, attack and sideslip. The controller employs a body rate inner loop and the attitude outer loop, which are separated in time-scale by the singular perturbation principle. The novelty of the TVSMC is that both the sliding surface and the boundary layer dynamics can be varied in real time using the PD-eigenvalue assignment technique. This salient feature is used to cope with control command saturation and integrator windup in the presence of severe disturbance or control effector failure, which enhances the robustness and fault tolerance of the controller. The TV-SMC is developed and tuned up for the X-33 sub-orbital technology demonstration vehicle in launch and re-entry modes. A variety of nominal, dispersion and failure scenarios have tested via high fidelity 6DOF simulations using MAVERIC/SLIM simulation software.

Shtessel, Yuri B.↗

Lightning and Other Influences On Tropical Tropospheric Ozone: Empirical Studies of Covariation

Tropical and subtropical tropospheric ozone are important radiatively active species, with particularly large effects in the upper third of the troposphere. Temporal variability of O3 has proved difficult to simulate day by day in process models. Thus, individual roles of lightning, biomass burning, and other pollution in providing precursor NO(x), radicals, and chain carriers (CO, hydrocarbons) remain unquantified by simulation, and it is theoretically reasonable that individual roles are magnified by a joint synergy. We use wavelet analysis and Burg-algorithm maximum entropy spectral analyses to describe time-scales and correlation of ozone with proxies for processes controlling its concentration. Our empirical studies link time variations apparent in several datasets: the SHADOZ (Southern Hemisphere Additional Ozonesondes) network stations (Nairobi, Fiji), and auxiliary series with power to explain ozone-determining processes, with some interpretation based on the TTO (Tropical Tropospheric Ozone) product derived from TOMS (the Total Ozone Mapping Spectrometer). The auxiliary series are The OTD/LIS(Optical Transient Detector/Lightning Imaging Sensor) measurements of the lightning NO(x) source, the OLR (Outgoing Longwave Radiation)measurement of high-topped clouds, and standard meteorological variables from the United States NCEP (National Centers for Environmental Prediction) and Data Assimilation Office analyses. Concentrating on equatorial ozone, we compare the statistical evidence on the variability of tropospheric ozone. Important variations occur on approximately two-week, two-month (Madden-Julian Oscillation) and annual scales, and relations with OLR suggest controls associated with continental clouds. Hence we are now using the Lightning Imaging Sensor data set to indicate NO(x) sources. We report initial results defining relative roles of the process mentioned affecting O3 using their covariance properties.

Chatfield, Robert B.↗

Control of Thermo-Acoustics Instabilities: The Multi-Scale Extended Kalman Approach

"Multi-Scale Extended Kalman" (MSEK) is a novel model-based control approach recently found to be effective for suppressing combustion instabilities in gas turbines. A control law formulated in this approach for fuel modulation demonstrated steady suppression of a high-frequency combustion instability (less than 500Hz) in a liquid-fuel combustion test rig under engine-realistic conditions. To make-up for severe transport-delays on control effect, the MSEK controller combines a wavelet -like Multi-Scale analysis and an Extended Kalman Observer to predict the thermo-acoustic states of combustion pressure perturbations. The commanded fuel modulation is composed of a damper action based on the predicted states, and a tones suppression action based on the Multi-Scale estimation of thermal excitations and other transient disturbances. The controller performs automatic adjustments of the gain and phase of these actions to minimize the Time-Scale Averaged Variances of the pressures inside the combustion zone and upstream of the injector. The successful demonstration of Active Combustion Control with this MSEK controller completed an important NASA milestone for the current research in advanced combustion technologies.

Le, Dzu K.↗

Magnetic resonance imaging of convection in laser-polarized xenon

We demonstrate nuclear magnetic resonance (NMR) imaging of the flow and diffusion of laser-polarized xenon (129Xe) gas undergoing convection above evaporating laser-polarized liquid xenon. The large xenon NMR signal provided by the laser-polarization technique allows more rapid imaging than one can achieve with thermally polarized gas-liquid systems, permitting shorter time-scale events such as rapid gas flow and gas-liquid dynamics to be observed. Two-dimensional velocity-encoded imaging shows convective gas flow above the evaporating liquid xenon, and also permits the measurement of enhanced gas diffusion near regions of large velocity variation.

Non-NASA Center↗

Artificial Neural Networks

Electric power systems represent complex systems involving many electrical components whoseoperation has to be planned, analyzed, monitored and controlled. The time-scale of tasks in electricpower systems extends from long term planning years ahead to milliseconds in the area of control. The behavior of power systems is highly non-linear. Monitoring and control involves several hundred variables which are only partly available by measurements.

Neural Networks↗

VLBI Monitoring of the Nucleus of Centaurus A

A series of 8.4 GHz VLBI images of the nucleus of Centaurus A have been made with a Southern Hemisphere array over more than a 3-year time span. The nuclear radio jet is approximately 50 mas in length, or about 1 pc at the 3.5 Mpc distance of Centaurus A. Sub-luminal motion is seen and structural changes observed on time-scales shorter than four months. Observations at both 4.8 and 8.4 GHz at one epoch allow identification of the core at the southwestern end of the jet.

VLBI Centaurus A↗