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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Structure, Function, Self-Assembly and Origin of Simple Membrane Proteins

Integral membrane proteins perform such essential cellular functions as transport of ions, nutrients and waste products across cell walls, transduction of environmental signals, regulation of cell fusion, recognition of other cells, energy capture and its conversion into high-energy compounds. In fact, 30-40% of genes in modem organisms codes for membrane proteins. Although contemporary membrane proteins or their functional assemblies can be quite complex, their transmembrane fragments are usually remarkably simple. The most common structural motif for these fragments is a bundle of alpha-helices, but occasionally it could be a beta-barrel. In a series of molecular dynamics computer simulations we investigated self-organizing properties of simple membrane proteins based on these structural motifs. Specifically, we studied folding and insertion into membranes of short, nonpolar or amphiphatic peptides. We also investigated glycophorin A, a peptide that forms sequence-specific dimers, and a transmembrane aggregate of four identical alpha-helices that forms an efficient and selective voltage-gated proton channel was investigated. Many peptides are attracted to water-membrane interfaces. Once at the interface, nonpolar peptides spontaneously fold to a-helices. Whenever the sequence permits, peptides that contain both polar and nonpolar amino also adopt helical structures, in which polar and nonpolar amino acid side chains are immersed in water and membrane, respectively. Specific identity of side chains is less important. Helical peptides at the interface could insert into the membrane and adopt a transmembrane conformation. However, insertion of a single helix is unfavorable because polar groups in the peptide become completely dehydrated upon insertion. The unfavorable free energy of insertion can be regained by spontaneous association of peptides in the membrane. The first step in this process is the formation of dimers, although the most common are aggregates of 4-7 helices. The helices could arrange themselves such that they formed pores capable of transporting ions and small molecules across membranes. Stability of transmembrane aggregates of simple proteins is often only marginal and, therefore, it can be regulated by environmental signals or small sequence modifications in the region of interhelical interactions. A key step in the earliest evolution of membrane proteins was the emergence of selectivity for specific substrates. Many channels could become selective if one or only a few properly chosen amino acids are properly placed along the channel, acting as filters or gates. This is a convenient evolutionary solution because it does not require imposing conditions on the whole sequence.

Pohorille, Andrew↗
NASA NTRS2004

Automated Extraction of Flow Features

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, recirculation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; iso-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for (co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Dorney, Suzanne↗
NASA NTRS2004

Overview of Transonic to Hypersonic Stage Separation Tool Development for Multi-Stage-to-Orbit Concepts

An overview of research efforts at NASA in support of the stage separation and ascent aerothermodynamics research program is presented. The objective of this work is to develop a synergistic suite of experimental, computational, and engineering tools and methods to apply to vehicle separation across the transonic to hypersonic speed regimes. Proximity testing of a generic bimese wing-body configuration is on-going in the transonic (Mach numbers 0.6, 1.05, and 1.1), supersonic (Mach numbers 2.3, 3.0, and 4.5) and hypersonic (Mach numbers 6 and 10) speed regimes in four wind tunnel facilities at the NASA Langley Research Center. An overset grid, Navier-Stokes flow solver has been enhanced and demonstrated on a matrix of proximity cases and on a dynamic separation simulation of the bimese configuration. Steady-state predictions with this solver were in excellent agreement with wind tunnel data at Mach 3 as were predictions via a Cartesian-grid Euler solver. Experimental and computational data have been used to evaluate multi-body enhancements to the widely-used Aerodynamic Preliminary Analysis System, an engineering methodology, and to develop a new software package, SepSim, for the simulation and visualization of vehicle motions in a stage separation scenario. Web-based software will be used for archiving information generated from this research program into a database accessible to the user community. Thus, a framework has been established to study stage separation problems using coordinated experimental, computational, and engineering tools.

Murphy, Kelly J.↗
NASA NTRS1997

Adsorption and solvation of ethanol at the water liquid-vapor interface: a molecular dynamics study

The free energy profiles of methanol and ethanol at the water liquid-vapor interface at 310K were calculated using molecular dynamics computer simulations. Both alcohols exhibit a pronounced free energy minimum at the interface and, therefore, have positive adsorption at this interface. The surface excess was computed from the Gibbs adsorption isotherm and was found to be in good agreement with experimental results. Neither compound exhibits a free energy barrier between the bulk and the surface adsorbed state. Scattering calculations of ethanol molecules from a gas phase thermal distribution indicate that the mass accommodation coefficient is 0.98, and the molecules become thermalized within 10 ps of striking the interface. It was determined that the formation of the solvation structure around the ethanol molecule at the interface is not the rate-determining step in its uptake into water droplets. The motion of an ethanol molecule in a water lamella was followed for 30 ns. The time evolution of the probability distribution of finding an ethanol molecule that was initially located at the interface is very well described by the diffusion equation on the free energy surface.

NASA Discipline Exobiology↗
NASA NTRS1987

Space motion sickness preflight adaptation training: preliminary studies with prototype trainers

Preflight training frequently has been proposed as a potential solution to the problem of space motion sickness. The paper considers successively the otolith reinterpretation, the concept for a preflight adaptation trainer and the research with the Miami University Seesaw, the Wright Patterson Air-Force Base Dynamic Environment Simulator and the Visually Coupled Airborne Systems Simulator prototype adaptation trainers.

NASA Discipline Neuroscience↗
NASA NTRS1998

Characterizing the Hazard of a Wake Vortex Encounter

The National Aeronautics and Space Administration (NASA) is conducting research with the goal of enabling safe improvements in the capacity of the nation's air transportation system. The wake vortex upset hazard is an important factor in establishing the minimum safe spacing between aircraft during landing and take-off operations, thus impacting airport capacity. Static and free-flight wind tunnel tests and flight tests have provided an extensive data set for improved understanding of vortex encounter dynamics and simulation. Piloted and batch simulation studies are also ongoing to establish a first-order hazard metric and determine the limits of an operationally acceptable wake induced upset. This paper outlines NASA's research in these areas.

Vicroy, Dan D.↗
NASA NTRS2004

Evaluation of CFD to Determine Two-Dimensional Airfoil Characteristics for Rotorcraft Applications

The efficient prediction of helicopter rotor performance, vibratory loads, and aeroelastic properties still relies heavily on the use of comprehensive analysis codes by the rotorcraft industry. These comprehensive codes utilize look-up tables to provide two-dimensional aerodynamic characteristics. Typically these tables are comprised of a combination of wind tunnel data, empirical data and numerical analyses. The potential to rely more heavily on numerical computations based on Computational Fluid Dynamics (CFD) simulations has become more of a reality with the advent of faster computers and more sophisticated physical models. The ability of five different CFD codes applied independently to predict the lift, drag and pitching moments of rotor airfoils is examined for the SC1095 airfoil, which is utilized in the UH-60A main rotor. Extensive comparisons with the results of ten wind tunnel tests are performed. These CFD computations are found to be as good as experimental data in predicting many of the aerodynamic performance characteristics. Four turbulence models were examined (Baldwin-Lomax, Spalart-Allmaras, Menter SST, and k-omega).

Smith, Marilyn J.↗
NASA NTRS2004

Modeling the interaction Between Ethylene Diamine and Water Films on the Surface of a Carbon Nanotube

It has been observed that a carbon nanotube (CNT) AFM tip coated with ethylene diamine (EDA) penetrates the liquid water-air interface more easily than an uncoated nanotube tip. The EDA coating remains intact through repeated cycles of dipping and removal. In order to understand the physical basis for this observation, we use ab initio quantum chemistry calculations to study the EDA-CNT-water interaction and to parameterize a force field describing this system. Molecular dynamics (MD) simulations are carried out for EDA-water mixtures and an EDA-coated carbon nanotube immmed in water. These simulations are similar to our earlier MD study that characterized the CNT-water interface. The attractive CNT-EDA and CNT-water interactions arise primarily from van der Waals forces, and the EDA-EDA, EDA-water and water-water interactions are mainly due to hydrogen bond formation. The binding energ of single EDA molecule to the nanotube is nearly three times larger than the corresponding value found for water (4.3 versus 1.5 kcal mol, respectively). The EDA molecules readily stick to and diffuse along the CNT surface. As a resulf mixing of the EDA and water films does not occur on the timescale of the MD simulations. The EDA film reduces the hydrophobicity of the nanotube surface and acts like a prototypical surfactant in stabilizing the suspension of carbon nanotubes in water. For this presentation, we use the MD simulations to determine how the presence of the carbon nanotube surface perturbs the properties of EDA-water mixtures.

Jaffe, Richard L.↗
NASA NTRS2005

Motion Cueing Algorithm Development: Human-Centered Linear and Nonlinear Approaches

While the performance of flight simulator motion system hardware has advanced substantially, the development of the motion cueing algorithm, the software that transforms simulated aircraft dynamics into realizable motion commands, has not kept pace. Prior research identified viable features from two algorithms: the nonlinear "adaptive algorithm", and the "optimal algorithm" that incorporates human vestibular models. A novel approach to motion cueing, the "nonlinear algorithm" is introduced that combines features from both approaches. This algorithm is formulated by optimal control, and incorporates a new integrated perception model that includes both visual and vestibular sensation and the interaction between the stimuli. Using a time-varying control law, the matrix Riccati equation is updated in real time by a neurocomputing approach. Preliminary pilot testing resulted in the optimal algorithm incorporating a new otolith model, producing improved motion cues. The nonlinear algorithm vertical mode produced a motion cue with a time-varying washout, sustaining small cues for longer durations and washing out large cues more quickly compared to the optimal algorithm. The inclusion of the integrated perception model improved the responses to longitudinal and lateral cues. False cues observed with the NASA adaptive algorithm were absent. The neurocomputing approach was crucial in that the number of presentations of an input vector could be reduced to meet the real time requirement without degrading the quality of the motion cues.

Houck, Jacob A.↗
NASA NTRS2005

Automated Extraction of Flow Features

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, re-circulation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; isc-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Dorney, Suzanne↗
NASA NTRS2004

Development of the Planar Inlet Design and Analysis Process (PINDAP)

The aerodynamic development of an engine inlet requires a comprehensive program of both wind tunnel testing and Computational Fluid Dynamics (CFD) simulations. To save time and resources, much "testing" is done using CFD before any design ever enters a wind tunnel. The focus of my project this summer is on CFD analysis tool development. In particular, I am working to further develop the capabilities of the Planar Inlet Design and Analysis Process (PINDAP). "PINDAP" is a collection of computational tools that allow for efficient and accurate design and analysis of the aerodynamics about and through inlets that can make use of a planar (two-dimensional or axisymmetric) geometric and flow assumption. PINDAP utilizes the WIND CFD flow solver, which is capable of simulating the turbulent, compressible flow field. My project this summer is a continuation of work that I performed for two previous summers. Two years ago, I used basic features of the PINDAP to design a Mach 5 hypersonic scramjet engine inlet and to demonstrate the feasibility of the PINDAP. The following summer, I worked to develop its geometry and grid generation capabilities to include subsonic and supersonic inlets, complete bodies and cowls, conic leading and trailing edges, as well as airfoils. These additions allowed for much more design flexibility when using the program.

Gruber, Christopher R.↗
NASA NTRS2000

Surge Flow in a Centrifugal Compressor Measured by Digital Particle Image Velocimetry

A planar optical velocity measurement technique known as Particle Image Velocimetry (PIV) is being used to study transient events in compressors. In PIV, a pulsed laser light sheet is used to record the positions of particles entrained in a fluid at two instances in time across a planar region of the flow. Determining the recorded particle displacement between exposures yields an instantaneous velocity vector map across the illuminated plane. Detailed flow mappings obtained using PIV in high-speed rotating turbomachinery components are used to improve the accuracy of computational fluid dynamics (CFD) simulations, which in turn, are used to guide advances in state-of-the-art aircraft engine hardware designs.

Wernet, Mark P.↗
NASA NTRS2005

Analyses Of Transient Events In Complex Valve and Feed Systems

Valve systems in rocket propulsion systems and testing facilities are constantly subject to dynamic events resulting from the timing of valve motion leading to unsteady fluctuations in pressure and mass flow. Such events can also be accompanied by cavitation, resonance, system vibration leading to catastrophic failure. High-fidelity dynamic computational simulations of valve operation can yield important information of valve response to varying flow conditions. Prediction of transient behavior related to valve motion can serve as guidelines for valve scheduling, which is of crucial importance in engine operation and testing. In this paper, we present simulations of the diverse unsteady phenomena related to valve and feed systems that include valve stall, valve timing studies as well as cavitation instabilities in components utilized in the test loop.

Ahuja, Vineet↗
NASA NTRS2005

Precipitation Modeling over the Greenland and Antarctic Ice Sheets and the Relationship to the Surface Mass Balance and Climate

Atmospheric numerical simulation and dynamic retrieval method with atmospheric numerical analyses are used to assess the spatial and temporal variability of Antarctic precipitation for the last two decades. First, the Polar MM5 has been run over Antarctica to study the Antarctic precipitation. With a horizontal resolution of 60km, the Polar MM5 has been run for the period of July 1996 through June 1999 in a series of short-term forecasts from initial and boundary conditions provided by the ECMWF operational analyses. In comparison with climatological maps, the major features of the spatial distribution of Antarctic precipitation are well captured by the Polar MM5. Drift snow effects on redistribution of surface accumulation over Antarctica are also assessed with surface wind fields from Polar MM5 in this study. There are complex divergence and convergence patterns of drift snow transport over Antarctica, especially along the coast. It is found that areas with large drift snow transport convergence and divergence are located around escarpment areas where there is large katabatic wind acceleration. In addition, areas with large snow transport divergence are generally accompanied by areas with large snow transport convergence nearby, indicating that drift snow transport is of local importance for the redistribution of the snowfall

Bromwich, David H.↗
NASA NTRS2006

Dynamic Inversion based Control of a Docking Mechanism

The problem of position and attitude control of the Stewart platform based docking mechanism is considered motivated by its future application in space missions requiring the autonomous docking capability. The control design is initiated based on the framework of the intelligent flight control architecture being developed at NASA Ames Research Center. In this paper, the baseline position and attitude control system is designed using dynamic inversion with proportional-integral augmentation. The inverse dynamics uses a Newton-Euler formulation that includes the platform dynamics, the dynamics of the individual legs along with viscous friction in the joints. Simulation results are presented using forward dynamics simulated by a commercial physics engine that builds the system as individual elements with appropriate joints and uses constrained numerical integration,

Kulkarni, Nilesh V.↗