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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Synthesis of Contributed Simulations for OREX Test Cases

A synthesis is presented of the computer simulations of the flow over the Orbital Reentry Vehicle (ORV) at the 92.8 km and 63.6 km Earth altitude trajectory points that were discussed at the First Europe-U.S. High Speed Flow Field Database Workshop Part 2, Napoli, Italy, November 1997. For the materials used on the surface of ORV, the non-catalytic wall condition is appropriate at 92.8 km and the finite-rate catalytic wall condition at 63.6 km. Additional simulations are required for establishing the independency of the discussed results from numerics. The proper modeling of natural phenomena needs further sensitivity studies. The uncertainties of inferred flight data are lacking for a proper evaluation of the presented results.

Mehta, Unmeel B.↗
DOE OSTI2022

Crowding-Induced Spatial Organization of Gene Expression in Cell-Sized Vesicles

Cell-free protein synthesis is an important tool for studying gene expression and harnessing it for applications. In cells, gene expression is regulated in part by the spatial organization of transcription and translation. Unfortunately, current cell-free approaches are unable to control the organization of molecular components needed for gene expression, which limits the ability to probe and utilize its effects. In this work, we show, using complementary computational and experimental approaches, that macromolecular crowding can be used to control the spatial organization and translational efficiency of gene expression in cell-sized vesicles. Computer simulations and imaging experiments reveal that, as crowding is increased, DNA plasmids become localized at the inner surface of vesicles. Ribosomes, in contrast, remain uniformly distributed, demonstrating that crowding can be used to differentially organize components of gene expression. We further carried out cell-free protein synthesis reactions in cell-sized vesicles and quantified mRNA and protein abundance. At sufficiently high levels of crowding, we observed localization of mRNA near vesicle surfaces, a decrease in translational efficiency and protein abundance, and anomalous scaling of protein abundance as a function of vesicle size. These results are consistent with high levels of crowding causing altered spatial organization and slower diffusion. Our work demonstrates a straightforward way to control the organization of gene expression in cell-sized vesicles and provides insight into the spatial regulation of gene expression in cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Theory of hydrophobicity: transient cavities in molecular liquids

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or "squeezing" force, reaches a maximum near cavity diameters of 2.4 angstroms. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studied here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems.

NASA Center ARC↗
NASA NTRS1984

Dataflow computing approach in high-speed digital simulation

New computational tools and methodologies for the digital simulation of continuous systems were explored. Programmability, and cost effective performance in multiprocessor organizations for real time simulation was investigated. Approach is based on functional style languages and data flow computing principles, which allow for the natural representation of parallelism in algorithms and provides a suitable basis for the design of cost effective high performance distributed systems. The objectives of this research are to: (1) perform comparative evaluation of several existing data flow languages and develop an experimental data flow language suitable for real time simulation using multiprocessor systems; (2) investigate the main issues that arise in the architecture and organization of data flow multiprocessors for real time simulation; and (3) develop and apply performance evaluation models in typical applications.

Ercegovac, M. D.↗
NASA NTRS1989

Helicopter flight control system design and evaluation for NOE operations using controller inversion techniques

A flight control system design technique is described that allows rapid evaluation of candidate control laws using computer simulated trajectories. The two-step technique first computes the optimum trajectory for the basic aircraft, and then reconstructs the pilot's control displacements necessary to fly this trajectory, given a particular control system architecture. Since the flight control system itself does not add to the acceleration potential of the helicopter, one may evaluate several proposed control laws in terms of the resulting stick inputs for the same maneuver. The method is illustrated through application to implicit and explicit model-following control laws designed for a battlefield helicopter with and without an auxiliary propulsor. It is shown that the technique is a valuable aid for selection of promising control laws for further simulator studies and flight investigations.

Mckillip, Robert M., Jr.↗
NASA NTRS1993

Kinetic dissection of individual steps in the poly(C)-directed oligoguanylate synthesis from guanosine 5'-monophosphate 2-methylimidazolide

A kinetic study of oligoguanylate synthesis on a polycytidylate template, poly(C), as a function of the concentration of the activated monomer, guanosine 5'-monophosphate 2-methylimidazolide, 2-MeImpG, is reported. Reactions were run with 0.005-0.045 M 2-MeImpG in the presence of 0.05 M poly(C) at 23 degrees C. The kinetic results are consistent with a reaction scheme (eq 1) that consists of a series of consecutive steps, each step representing the addition of one molecule of 2-MeImpG to the growing oligomer. This scheme allows the calculation of second-order rate constants for every step by analyzing the time-dependent growth of each oligomer. Computer simulations of the course of reaction based on the determined rate constants and eq 1 are in excellent agreement with the product distributions seen in the HPLC profiles. In accord with an earlier study (Fakhrai, H.; Inoue, T.; Orgel, L. E. Tetrahedron 1984, 40, 39), rate constants, ki, for the formation of the tetramer and longer oligomers up to the 16-mer were found to be independent of length and somewhat higher than k3 (formation of trimer), which in turn is much higher than k2 (formation of dimer). The ki (i > or = 4), k3, and k2 values are not true second-order rate constants but vary with monomer concentration. Mechanistic models for the dimerization (Scheme I) and elongation reactions (Scheme II) are proposed that are consistent with our results. These models take into account that the monomer associates with the template in a cooperative manner. Our kinetic analysis allowed the determination of rate constants for the elementary processes of covalent bond formation between two monomers (dimerization) and between an oligomer and a monomer (elongation) on the template. A major conclusion from our study is that bond formation between two monomer units or between a primer and a monomer is assisted by the presence of additional next-neighbor monomer units. This is consistent with recent findings with hairpin oligonucleotides (Wu, T.; Orgel, L. E. J. Am. Chem. Soc. 1992, 114, 317). Our study is the first of its kind that shows the feasibility of a thorough kinetic analysis of a template-directed oligomerization and provides a detailed mechanistic model of these reactions.

Non-NASA Center↗
NASA NTRS2000

Kinetics of DSB rejoining and formation of simple chromosome exchange aberrations

PURPOSE: To investigate the role of kinetics in the processing of DNA double strand breaks (DSB), and the formation of simple chromosome exchange aberrations following X-ray exposures to mammalian cells based on an enzymatic approach. METHODS: Using computer simulations based on a biochemical approach, rate-equations that describe the processing of DSB through the formation of a DNA-enzyme complex were formulated. A second model that allows for competition between two processing pathways was also formulated. The formation of simple exchange aberrations was modelled as misrepair during the recombination of single DSB with undamaged DNA. Non-linear coupled differential equations corresponding to biochemical pathways were solved numerically by fitting to experimental data. RESULTS: When mediated by a DSB repair enzyme complex, the processing of single DSB showed a complex behaviour that gives the appearance of fast and slow components of rejoining. This is due to the time-delay caused by the action time of enzymes in biomolecular reactions. It is shown that the kinetic- and dose-responses of simple chromosome exchange aberrations are well described by a recombination model of DSB interacting with undamaged DNA when aberration formation increases with linear dose-dependence. Competition between two or more recombination processes is shown to lead to the formation of simple exchange aberrations with a dose-dependence similar to that of a linear quadratic model. CONCLUSIONS: Using a minimal number of assumptions, the kinetics and dose response observed experimentally for DSB rejoining and the formation of simple chromosome exchange aberrations are shown to be consistent with kinetic models based on enzymatic reaction approaches. A non-linear dose response for simple exchange aberrations is possible in a model of recombination of DNA containing a DSB with undamaged DNA when two or more pathways compete for DSB repair.

DNA Damage↗
NASA NTRS1993

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗
NASA NTRS1973

Flexible rotor dynamics analysis

A digital computer program was developed to analyze the general nonaxisymmetric and nonsynchronous transient and steady-state rotor dynamic performance of a bending- and shear-wise flexible rotor-bearing system under various operating conditions. The effects of rotor material mechanical hysteresis, rotor torsion flexibility, transverse effects of rotor axial and torsional loading and the anisotropic, in-phase and out-of-phase bearing stiffness and damping force and moment coefficients were included in the program to broaden its capability. An optimum solution method was found and incorporated in the computer program. Computer simulation of experimental data was made and qualitative agreements observed. The mathematical formulations, computer program verification, test data simulation, and user instruction was presented and discussed.

Shen, F. A.↗
NASA NTRS2013

Combined Experimental and Numerical Simulations of Thermal Barrier Coated Turbine Blades Erosion

A combined experimental and computational study was conducted to investigate the erosion of thermal barrier coated (TBC) blade surfaces by alumina particles ingestion in a single stage turbine. In the experimental investigation, tests of particle surface interactions were performed in specially designed tunnels to determine the erosion rates and particle restitution characteristics under different impact conditions. The experimental results show that the erosion rates increase with increased impingement angle, impact velocity and temperature. In the computational simulations, an Euler-Lagrangian two stage approach is used in obtaining numerical solutions to the three-dimensional compressible Reynolds Averaged Navier-Stokes equations and the particles equations of motion in each blade passage reference frame. User defined functions (UDF) were developed to represent experimentally-based correlations for particle surface interaction models which were employed in the three-dimensional particle trajectory simulations to determine the particle rebound characteristics after each surface impact. The experimentally based erosion UDF model was used to predict the TBC erosion rates on the turbine blade surfaces based on the computed statistical data of the particles impact locations, velocities and angles relative to the blade surface. Computational results are presented for the predicted TBC blade erosion in a single stage commercial APU turbine, for a NASA designed automotive turbine, and for the NASA turbine scaled for modern rotorcraft operating conditions. The erosion patterns in the turbines are discussed for uniform particle ingestion and for particle ingestion concentrated in the inner and outer 5 percent of the stator blade span representing the flow cooling the combustor liner.

Hamed, Awate↗
NASA NTRS1975

Psychological aspects of aeronautical flight simulation

Attention is given to the class of ground based devices which have been used by scientists, engineers, and test pilots to evaluate current or future aircraft systems. The characteristics of a flight simulator and its major subsystems are considered, taking into account simulator cockpits, visual scene attachments, aspects of visual attachment fidelity, simulator motion systems, motion system fidelity, and simulation computer systems. Questions related to psychological research and simulation are examined. Simulator validity criteria are discussed along with problems of subsystem fidelity.

Huff, E. M.↗
NASA NTRS1989

Astronomical imaging by pupil plane interferometry

Comparing rotational shear interferometry to standard speckle interferometry, it is found that it is easier in the first case to separate the atmospheric phases from the object transform phases. Phase closure and blind deconvolution should be directly applicable. Laboratory simulations were conducted to verify theoretical predictions and computer simulations for the phase closure case, and preliminary results show promise.

Ribak, Erez↗
NASA NTRS1996

Adaptive Control Strategies for Flexible Robotic Arm

The control problem of a flexible robotic arm has been investigated. The control strategies that have been developed have a wide application in approaching the general control problem of flexible space structures. The following control strategies have been developed and evaluated: neural self-tuning control algorithm, neural-network-based fuzzy logic control algorithm, and adaptive pole assignment algorithm. All of the above algorithms have been tested through computer simulation. In addition, the hardware implementation of a computer control system that controls the tip position of a flexible arm clamped on a rigid hub mounted directly on the vertical shaft of a dc motor, has been developed. An adaptive pole assignment algorithm has been applied to suppress vibrations of the described physical model of flexible robotic arm and has been successfully tested using this testbed.

Bialasiewicz, Jan T.↗
NASA NTRS1996

Development of an Intelligent Monitoring and Control System for a Heterogeneous Numerical Propulsion System Simulation

The NASA Numerical Propulsion System Simulation (NPSS) project is exploring the use of computer simulation to facilitate the design of new jet engines. Several key issues raised in this research are being examined in an NPSS-related research project: zooming, monitoring and control, and support for heterogeneity. The design of a simulation executive that addresses each of these issues is described. In this work, the strategy of zooming, which allows codes that model at different levels of fidelity to be integrated within a single simulation, is applied to the fan component of a turbofan propulsion system. A prototype monitoring and control system has been designed for this simulation to support experimentation with expert system techniques for active control of the simulation. An interconnection system provides a transparent means of connecting the heterogeneous systems that comprise the prototype.

Reed, John A.↗
NASA NTRS1997

Computational Modeling Method for Superalloys

Computer modeling based on theoretical quantum techniques has been largely inefficient due to limitations on the methods or the computer needs associated with such calculations, thus perpetuating the notion that little help can be expected from computer simulations for the atomistic design of new materials. In a major effort to overcome these limitations and to provide a tool for efficiently assisting in the development of new alloys, we developed the BFS method for alloys, which together with the experimental results from previous and current research that validate its use for large-scale simulations, provide the ideal grounds for developing a computationally economical and physically sound procedure for supplementing the experimental work at great cost and time savings.

Bozzolo, Guillermo↗
NASA NTRS1998

Simulation Accelerator

Under a NASA SBIR (Small Business Innovative Research) contract, (NAS5-30905), EAI Simulation Associates, Inc., developed a new digital simulation computer, Starlight(tm). With an architecture based on the analog model of computation, Starlight(tm) outperforms all other computers on a wide range of continuous system simulation. This system is used in a variety of applications, including aerospace, automotive, electric power and chemical reactors.

Source record↗
DOE OSTI2022

On the characterization of biases arising from methods and approximations used for sensitivity analyses

The preliminary assessment of the performance and safety of advanced reactors, as well as the identification of research and development needs, rely on computer simulations due to the lack of operational experience. Those simulations should be based on verified and validated computational tools, calculation schemes, and nuclear data libraries, and should be accompanied of a proper characterization of the involved uncertainties, providing confidence in the computational-based predictions. Thus, sensitivity and uncertainty studies, together with integral experiments, play an essential role in that process. Sensitivities are then a critical element and guidelines about how to produce accurate enough sensitivities depending on the subsequent analyses to be performed are of interest. The present study addresses the sensitivities biases arising from the use of different nuclear data libraries, computational methods and the assumption of modelling simplifications. Not only sensitivities for multiplication factor but also for safety-relevant reactivity responses have been analyzed. In the study, propagated uncertainties are also included for the considered parameters to illustrate the impact of the sensitivity profiles obtained for each case on the final uncertainty. Then, relevant recommendations are given for sensitivity analyses of highly complex systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗