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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations for 161.5 ns. 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 nonamphipathic structures throughout the complete trajectory indicates 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. Proteins 1999;36:383-399. Copyright 1999 Wiley-Liss, Inc.

NASA Center ARC↗
NASA NTRS1999

Development of a flow feedback pulse duplicator system with rhesus monkey arterial input impedance characteristics

An in vitro pulsatile pump flow system that is capable of producing physiologic pressures and flows in a mock circulatory system tuned to reproduce the first nine harmonics of the input impedance of a rhesus monkey was developed and tested. The system was created as a research tool for evaluating cardiovascular function and for the design, testing, and evaluation of electrical-mechanical cardiovascular models and chronically implanted sensors. The system possesses a computerized user interface for controlling a linear displacement pulsatile pump in a controlled flow loop format to emulate in vivo cardiovascular characteristics. Evaluation of the pump system consisted of comparing its aortic pressure and flow profiles with in vivo rhesus hemodynamic waveforms in the time and frequency domains. Comparison of aortic pressure and flow data between the pump system and in vivo data showed good agreement in the time and frequency domains, however, the pump system produced a larger pulse pressure. The pump system can be used for comparing cardiovascular parameters with predicted cardiovascular model values and for evaluating such items as vascular grafts, heart valves, biomaterials, and sensors. This article describes the development and evaluation of this feedback controlled cardiovascular dynamics simulation modeling system.

Non-NASA Center↗
NASA NTRS2004

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

Frankland, Sarah-Jane V.↗
NASA NTRS2004

A Hierarchical Approach to Fracture Mechanics

Recent research conducted under NASA LaRC's Creativity and Innovation Program has led to the development of an initial approach for a hierarchical fracture mechanics. This methodology unites failure mechanisms occurring at different length scales and provides a framework for a physics-based theory of fracture. At the nanoscale, parametric molecular dynamic simulations are used to compute the energy associated with atomic level failure mechanisms. This information is used in a mesoscale percolation model of defect coalescence to obtain statistics of fracture paths and energies through Monte Carlo simulations. The mathematical structure of predicted crack paths is described using concepts of fractal geometry. The non-integer fractal dimension relates geometric and energy measures between meso- and macroscales. For illustration, a fractal-based continuum strain energy release rate is derived for inter- and transgranular fracture in polycrystalline metals.

Saether, Erik↗
NASA NTRS2005

Applications of Quantum Chemistry to the Study of Carbon Nanotubes

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

Jaffe, Richard L.↗
NASA NTRS2005

Prediction of Mechanical Properties of Polymers With Various Force Fields

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

Odegard, Gregory M.↗
NASA NTRS2005

TESSX: A Mission for Space Exploration with Tethers

Tethers offer significant potential for substantially increasing payload mass fraction, increasing spacecraft lifetime, enhancing long-term space travel, and enabling the understanding and development of gravity-dependent technologies required for Moon and Mars exploration. The development of the Tether Electrodynamic Spin-up and Survivability Experiment (TESSX) will support applications relevant to NASA's new exploration initiative, including: artificial gravity generation, formation flying, electrodynamic propulsion, momentum exchange, and multi-amp current collection and emission. Under the broad term TESSX, we are currently evaluating several different tether system configurations and operational modes. The initial results of this work are presented, including hardware development, orbital dynamics simulations, and electrodynamics design and analysis.

Cosmo, Mario L.↗
NASA NTRS2005

Impact of Fluidic Chevrons on Jet Noise

The impact of alternating fluidic core chevrons on the production of jet noise is investigated. Core nozzles for a representative 1/9th scale, bypass ratio 5 model system were manufactured with slots cut near the trailing edges to allow for air injection into the core and fan streams. The injectors followed an alternating pattern around the nozzle perimeter so that the injection alternated between injection into the core stream and injection into the fan stream. For the takeoff condition and a forward flight Mach number of 0.10, the overall sound pressure levels at the peak jet noise angle decrease with increasing injection pressure. Sound pressure levels increase for observation angles less than 110o at higher injection pressures due to increases in high frequency noise. Greater increases in high frequency noise are observed when the number of injectors increases from 8 to 12. When the forward flight Mach number is increased to 0.28, jet noise reduction (relative to the baseline) is observed at aft angles for increasing injection pressure while significant increases in jet noise are observed at forward observation angles due to substantial acoustic radiation at high frequencies. A comparison between inflow and alternating injectors shows that, for equal mass injection rates, the inflow nozzle produces greater low frequency noise reduction (relative to the baseline) than the alternating injectors at 90o and aft observation angles and a forward flight Mach number of 0.28. Preliminary computational fluid dynamic simulations indicate that the spatial decay rate of the hot potential core flow is less for the inflow nozzle than for the alternating nozzles which indicates that gentle mixing may be preferred over sever mixing when fluidic chevrons are used for jet noise reduction.

Henderson, Brenda S.↗
NASA NTRS2005

Mars Tumbleweed: FY2003 Conceptual Design Assessment

NASA LaRC is studying concepts for a new type of Mars exploration vehicle that would be propelled by the wind. Known as the Mars Tumbleweed, it would derive mobility through use of the Martian surface winds. Tumbleweeds could conceivably travel greater distances, cover larger areas of the surface, and provide access to areas inaccessible by conventional vehicles. They would be lightweight and relatively inexpensive, allowing a multiple vehicle network to be deployed on a single mission. Tumbleweeds would be equipped with sensors for conducting science and serve as scouts searching broad areas to identify specific locations for follow-on investigation by other explorers. An extensive assessment of LaRC Tumbleweed concepts was conducted in FY03, including refinement of science mission scenarios, definition of supporting subsystems (structures, power, communications), testing in wind tunnels, and development of a dynamic simulation capability.

Antol, Jeffrey↗
NASA NTRS2005

Multi-Scale Modeling of Cross-Linked Nanotube Materials

The effect of cross-linking single-walled carbon nanotubes on the Young's modulus of a nanotube-reinforced composite is modeled with a multi-scale method. The Young's modulus is predicted as a function of nanotube volume fraction and cross-link density. In this method, the constitutive properties of molecular representative volume elements are determined using molecular dynamics simulation and equivalent-continuum modeling. The Young's modulus is subsequently calculated for cross-linked nanotubes in a matrix which consists of the unreacted cross-linking agent. Two different cross-linking agents are used in this study, one that is short and rigid (Molecule A), and one that is long and flexible (Molecule B). Direct comparisons between the predicted elastic constants are made for the models in which the nanotubes are either covalently bonded or not chemically bonded to the cross-linking agent. At a nanotube volume fraction of 10%, the Young's modulus of Material A is not affected by nanotube crosslinking, while the Young's modulus of Material B is reduced by 64% when the nanotubes are cross-linked relative to the non-cross-linked material with the same matrix.

Frankland, S. J. V.↗
NASA NTRS2005

MOEMS Modeling Using the Geometrical Matrix Toolbox

New technologies such as MicroOptoElectro-Mechanical Systems (MOEMS) require new modeling tools. These tools must simultaneously model the optical, electrical, and mechanical domains and the interactions between these domains. To facilitate rapid prototyping of these new technologies an optical toolbox has been developed for modeling MOEMS devices. The toolbox models are constructed using MATLAB's dynamical simulator, Simulink. Modeling toolboxes will allow users to focus their efforts on system design and analysis as opposed to developing component models. This toolbox was developed to facilitate rapid modeling and design of a MOEMS based laser ultrasonic receiver system.

Wilson, William C.↗
NASA NTRS2005

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Frankland, S. J. V.↗
NASA NTRS2005

Recent Developments in Hardware-in-the-Loop Formation Navigation and Control

The Formation Flying Test-Bed (FFTB) at NASA Goddard Space Flight Center (GSFC) provides a hardware-in-the-loop test environment for formation navigation and control. The facility is evolving as a modular, hybrid, dynamic simulation facility for end-tc-end guidance, navigation, and control (GN&C) design and analysis of formation flying spacecraft. The core capabilities of the FFTB, as a platform for testing critical hardware and software algorithms in-the-loop, are reviewed with a focus on many recent improvements. Two significant upgrades to the FFTB are a message-oriented middleware (MOM) architecture, and a software crosslink for inter-spacecraft ranging. The MOM architecture provides a common messaging bus for software agents, easing integration, arid supporting the GSFC Mission Services Evolution Center (GMSEC) architecture via software bridge. Additionally, the FFTB s hardware capabilities are expanding. Recently, two Low-Power Transceivers (LPTs) with ranging capability have been introduced into the FFTB. The LPT crosslinks will be connected to a modified Crosslink Channel Simulator (CCS), which applies realistic space-environment effects to the Radio Frequency (RF) signals produced by the LPTs.

Mitchell, Jason W.↗
NASA NTRS2006

Multiscale Analysis of Delamination of Carbon Fiber-Epoxy Laminates with Carbon Nanotubes

A multi-scale analysis is presented to parametrically describe the Mode I delamination of a carbon fiber/epoxy laminate. In the midplane of the laminate, carbon nanotubes are included for the purposes of selectively enhancing the fracture toughness of the laminate. To analyze carbon fiber epoxy carbon nanotube laminate, the multi-scale methodology presented here links a series of parameterizations taken at various length scales ranging from the atomistic through the micromechanical to the structural level. At the atomistic scale molecular dynamics simulations are performed in conjunction with an equivalent continuum approach to develop constitutive properties for representative volume elements of the molecular structure of components of the laminate. The molecular-level constitutive results are then used in the Mori-Tanaka micromechanics to develop bulk properties for the epoxy-carbon nanotube matrix system. In order to demonstrate a possible application of this multi-scale methodology, a double cantilever beam specimen is modeled. An existing analysis is employed which uses discrete springs to model the fiber bridging affect during delamination propagation. In the absence of empirical data or a damage mechanics model describing the effect of CNTs on fracture toughness, several tractions laws are postulated, linking CNT volume fraction to fiber bridging in a DCB specimen. Results from this demonstration are presented in terms of DCB specimen load-displacement responses.

Riddick, Jaret C.↗
NASA NTRS2006

Modeling and Testing of Docking and Berthing Mechanisms

The Contact Dynamics Simulation Laboratory (CDSL) of the Marshall Space Flight Center provides for refined hardware-in-the-loop real-time simulation of docking and berthing mechanisms and associated control systems. This facility is employed to verify the performance of docking/berthing mechanisms during Earth-orbit operations, determine the capture envelope of dockingherthing devices, measure contact loads at vehicle interfaces, and evaluate visual cues for man-in-the-loop operations. The CDSL has developed test verified analytical models of such systems as the ISS Common Berthing Mechanism and HST Three Point Docking Mechanism. This paper will describe the modeling and test techniques employed at the CDSL and present results from recent programs.

Hall, D. P.↗
NASA NTRS2006

Design and Analysis of a Turbopump for a Conceptual Expander Cycle Upper-Stage Engine

As part of the development of technologies for rocket engines that will power spacecraft to the Moon and Mars, a program was initiated to develop a conceptual upper stage engine with wide flow range capability. The resulting expander cycle engine design employs a radial turbine to allow higher pump speeds and efficiencies. In this paper, the design and analysis of the pump section of the engine are discussed. One-dimensional meanline analyses and three-dimensional unsteady computational fluid dynamics simulations were performed for the pump stage. Configurations with both vaneless and vaned diffusers were investigated. Both the meanline analysis and computational predictions show that the pump will meet the performance objectives. Additional details describing the development of a water flow facility test are also presented.

Dorney, Daniel J.↗