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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Computer simulations of electromagnetic cool ion beam instabilities

Electromagnetic ion beam instabilities driven by cool ion beams at propagation parallel or antiparallel to a uniform magnetic field are studied using computer simulations. The elements of linear theory applicable to electromagnetic ion beam instabilities and the simulations derived from a one-dimensional hybrid computer code are described. The quasi-linear regime of the right-hand resonant ion beam instability, and the gyrophase bunching of the nonlinear regime of the right-hand resonant and nonresonant instabilities are examined. It is detected that in the quasi-linear regime the instability saturation is due to a reduction in the beam core relative drift speed and an increase in the perpendicular-to-parallel beam temperature; in the nonlinear regime the instabilities saturate when half the initial beam drift kinetic energy density is converted to fluctuating magnetic field energy density.

Gary, S. P.↗
NASA NTRS1995

Progress towards computer simulation of NiH2 battery performance over life

The long-term performance of rechargeable battery cells has traditionally been verified through life-testing, a procedure that generally requires significant commitments of funding and test resources. In the situation of nickel hydrogen battery cells, which have the capability of providing extremely long cycle life, the time and cost required to conduct even accelerated testing has become a serious impediment to transitioning technology improvements into spacecraft applications. The utilization of computer simulations to indicate the changes in performance to be expected in response to design or operating changes in nickel hydrogen cells is therefore a particularly attractive tool in advanced battery development, as well as for verifying performance in different applications. Computer-based simulations of the long-term performance of rechargeable battery cells have typically had very limited success in the past. There are a number of reasons for the lack in progress in this area. First, and probably most important, all battery cells are relatively complex electrochemical systems, in which performance is dictated by a large number of interacting physical and chemical processes. While the complexity alone is a significant part of the problem, in many instances the fundamental chemical and physical processes underlying long-term degradation and its effects on performance have not even been understood. Second, while specific chemical and physical changes within cell components have been associated with degradation, there has been no generalized simulation architecture that enables the chemical and physical structure (and changes therein) to be translated into cell performance. For the nickel hydrogen battery cell, our knowledge of the underlying reactions that control the performance of this cell has progressed to where it clearly is possible to model them. The recent development of a relative generalized cell modelling approach provides the framework for translating the chemical and physical structure of the components inside a cell into its performance characteristics over its entire cycle life. This report describes our approach to this task in terms of defining those processes deemed critical in controlling performance over life, and the model architecture required to translate the fundamental cell processes into performance profiles.

Zimmerman, Albert H.↗
NASA NTRS1973

Computer simulation of aircraft motions and propulsion system dynamics for the YF-12 aircraft at supersonic cruise conditions

A computer simulation of the YF-12 aircraft motions and propulsion system dynamics is presented. The propulsion system was represented in sufficient detail so that interactions between aircraft motions and the propulsion system dynamics could be investigated. Six degree-of-freedom aircraft motions together with the three-axis stability augmentation system were represented. The mixed compression inlets and their controls were represented in the started mode for a range of flow conditions up to the inlet unstart boundary. Effects of inlet moving geometry on aircraft forces and movements as well as effects of aircraft motions on the inlet behavior were simulated. The engines, which are straight subjects, were represented in the afterburning mode, with effects of changes in aircraft flight conditions included. The simulation was capable of operating in real time.

Brown, S. C.↗
NASA NTRS1984

Computer simulation of fracture using long range pair potentials

The behavior of a crack in iron is studied using computer simulation. A Morse interatomic potential is used which is of a longer ranged nature than the potentials used in previous studies. With this potential, blunting of the crack tip by spontaneous dislocation nucleation occurs under most conditions. The presence of hydrogen appears to inhibit this blunting and thus to encourage brittle fracture. In the absence of hydrogen, a temperature dependent brittle-ductile transition is observed for some loads. This behavior is quite different from that observed when shorter ranged potentials are used, and it appears to be in somewhat better agreement with experimental results. This agreement with experiment is not conclusive, however, indicating the need for further work to determine more accurate potentials.

Mullins, M.↗
NASA NTRS1988

Computer simulation of cyclic oxidation

A computer program has been developed which simulates the cyclic oxidation behavior of materials. The simulation is based on the assumption that the weight fraction of scale that spalls in any thermal cycle is proportional to the amount of scale present on the surface at the beginning of the cycle. The program provides plots as well as tabular data which describe the cyclic oxidation behavior of a given material. Individual input parameters can be selectively altered and the resulting change in cyclic kinetics determined, allowing the user to quickly survey a wide range of cyclic conditions on the kinetics of a given material.

Probst, H. B.↗
NASA NTRS1982

The influence of turbulence models on computer-simulated aircraft landing

Three models of simulated atmospheric turbulence were used to determine their respective influence on a computer-simulated, DC-8 type, aircraft landing. Statistical results based on a sample of 20 simulated landings illustrate the influence of turbulence simulated by the different models. For the same spectrum function, a non-Gaussian turbulence model produces the higher degree of touchdown variability. When different spectrum functions are used the von Karman model induces a smaller standard deviation in position error than the Dryden model. The turbulence energy contained by the higher frequency fluctuation has little effect on the landing position.

Frost, W.↗
NASA NTRS1972

Further developments in cloud statistics for computer simulations

This study is a part of NASA's continued program to provide global statistics of cloud parameters for computer simulation. The primary emphasis was on the development of the data bank of the global statistical distributions of cloud types and cloud layers and their applications in the simulation of the vertical distributions of in-cloud parameters such as liquid water content. These statistics were compiled from actual surface observations as recorded in Standard WBAN forms. Data for a total of 19 stations were obtained and reduced. These stations were selected to be representative of the 19 primary cloud climatological regions defined in previous studies of cloud statistics. Using the data compiled in this study, a limited study was conducted of the hemogeneity of cloud regions, the latitudinal dependence of cloud-type distributions, the dependence of these statistics on sample size, and other factors in the statistics which are of significance to the problem of simulation. The application of the statistics in cloud simulation was investigated. In particular, the inclusion of the new statistics in an expanded multi-step Monte Carlo simulation scheme is suggested and briefly outlined.

Chang, D. T.↗
NASA NTRS1982

A theory for the origin of a self-replicating chemical system. II - Computer simulation of the autogen

In order to better understand the feasibility and limitations of the autogen (White 1980), a computer simulation based on the fluctuating clay environment was used to test whether autocatalytic growth would occur under various conditions. The results suggest that overall accuracies of replication and translation in the range of 90% and 10%, and protoenzyme turnover numbers of 10-120 monomers/protoenzyme/day are adequate for exponential growth. Nucleation of the components of the autogen from random background oligomers would be extremely rapid if oligomers lengths 2-6 were adequately functional, whereas oligomer lengths much greater than 10 are prohibited. The autogen would most likely nucleate and grow to dominance either rapidly (10-100 cycles of roughly 1 day each) or not at all.

White, D. H.↗
NASA NTRS1985

A computer simulation of the turbocharged turbo compounded diesel engine system: A description of the thermodynamic and heat transfer models

A computer simulation of the turbocharged turbocompounded direct-injection diesel engine system was developed in order to study the performance characteristics of the total system as major design parameters and materials are varied. Quasi-steady flow models of the compressor, turbines, manifolds, intercooler, and ducting are coupled with a multicylinder reciprocator diesel model, where each cylinder undergoes the same thermodynamic cycle. The master cylinder model describes the reciprocator intake, compression, combustion and exhaust processes in sufficient detail to define the mass and energy transfers in each subsystem of the total engine system. Appropriate thermal loading models relate the heat flow through critical system components to material properties and design details. From this information, the simulation predicts the performance gains, and assesses the system design trade-offs which would result from the introduction of selected heat transfer reduction materials in key system components, over a range of operating conditions.

Assanis, D. N.↗
NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗
NASA NTRS1992

Computer simulations of comet- and asteroidlike bodies passing through the Venusian atmosphere: Preliminary results on atmospheric and ground shock effects

We have completed computer simulations that model shock effects in the venusian atmosphere caused during the passage of two cometlike bodies 100 m and 1000 m in diameter and an asteroidlike body 10 km in diameter. Our objective is to examine hypervelocity-generated shock effects in the venusian atmosphere for bodies of different types and sizes in order to understand the following: (1) their deceleration and depth of penetration through the atmosphere; and (2) the onset of possible ground-surface shock effects such as splotches, craters, and ejecta formations. The three bodies were chosen to include both a range of general conditions applicable to Venus as well as three specific cases of current interest. These calculations use a new multiphase computer code (DICE-MAZ) designed by California Research & Technology for shock-dynamics simulations in complex environments. The code was tested and calibrated in large-scale explosion, cratering, and ejecta research. It treats a wide range of different multiphase conditions, including material types (vapor, melt, solid), particle-size distributions, and shock-induced dynamic changes in velocities, pressures, temperatures (internal energies), densities, and other related parameters, all of which were recorded in our calculations.

Roddy, D.↗
NASA NTRS1997

Using Computer Simulation for Neurolab 2 Mission Planning

This paper presents an overview of the procedure used in the creation of a computer simulation video generated by the Graphics Research and Analysis Facility at NASA/Johnson Space Center. The simulation was preceded by an analysis of anthropometric characteristics of crew members and workspace requirements for 13 experiments to be conducted on Neurolab 2 which is dedicated to neuroscience and behavioral research. Neurolab 2 is being carried out as a partnership among national domestic research institutes and international space agencies. The video is a tour of the Spacelab module as it will be configured for STS-90, scheduled for launch in the spring of 1998, and identifies experiments that can be conducted in parallel during that mission. Therefore, this paper will also address methods for using computer modeling to facilitate the mission planning activity.

Sanders, Betty M.↗
NASA NTRS1994

Computational Simulation of the Formation and Material Behavior of Ice

Computational methods are described for simulating the formation and the material behavior of ice in prevailing transient environments. The methodology developed at the NASA Lewis Research Center was adopted. A three dimensional finite-element heat transfer analyzer was used to predict the thickness of ice formed under prevailing environmental conditions. A multi-factor interaction model for simulating the material behavior of time-variant ice layers is presented. The model, used in conjunction with laminated composite mechanics, updates the material properties of an ice block as its thickness increases with time. A sample case of ice formation in a body of water was used to demonstrate the methodology. The results showed that the formation and the material behavior of ice can be computationally simulated using the available composites technology.

Tong, Michael T.↗
DOE OSTI2023

Elucidating the Molecular Origins of the Transference Number in Battery Electrolytes Using Computer Simulations

The rate at which rechargeable batteries can be charged and discharged is governed by the selective transport of the working ions through the electrolyte. Conductivity, the parameter commonly used to characterize ion transport in electrolytes, reflects the mobility of both cations and anions. The transference number, a parameter introduced over a century ago, sheds light on the relative rates of cation and anion transport. This parameter is, not surprisingly, affected by cation–cation, anion–anion, and cation–anion correlations. In addition, it is affected by correlations between the ions and neutral solvent molecules. Computer simulations have the potential to provide insights into the nature of these correlations. We review the dominant theoretical approaches used to predict the transference number from simulations by using a model univalent lithium electrolyte. In electrolytes of low concentration, one can obtain a quantitative model by assuming that the solution is made up of discrete ion-containing clusters–neutral ion pairs, negatively and positively charged triplets, neutral quadruplets, and so on. These clusters can be identified in simulations using simple algorithms, provided their lifetimes are sufficiently long. In concentrated electrolytes, more clusters are short-lived and more rigorous approaches that account for all correlations are necessary to quantify transference. Elucidating the molecular origin of the transference number in this limit remains an unmet challenge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Automated, reliable, and efficient continental-scale replication of 7.3 petabytes of computational simulation data: A case study

We report on our experiences replicating 7.3 petabytes (PB) of Earth System Grid Federation (ESGF) computational simulation data from Lawrence Livermore National Laboratory (LLNL) in California to Argonne National Laboratory (ANL) in Illinois and Oak Ridge National Laboratory (ORNL) in Tennessee—a task motivated by a need for increased reliability, capacity, and performance. This task presented significant challenges: the need to move 29 million files twice under time pressure from aging storage hardware; a source file system bottleneck limiting throughput to 1.5 GB/s; frequent site maintenance windows; and the need for complete reliability at scale. We addressed these challenges using a simple replication tool that invoked Globus to transfer large bundles of files while tracking progress in a database, dynamically rerouting transfers to work around maintenance periods and file system limitations. Under the covers, Globus organized transfers to make efficient use of the high-speed Energy Sciences network (ESnet) and the data transfer nodes deployed at participating sites, and also addressed security, integrity checking, and recovery from a variety of transient failures. This success demonstrates the considerable benefits that can accrue from the adoption of performant data replication infrastructure. The replication tool is available at https://github.com/esgf2-us/data-replication-tools.

Globus↗
NASA NTRS1976

Computer simulation of screw dislocation in aluminum

The atomic structure in a 110 screw dislocation core for aluminum is obtained by computer simulation. The lattice statics technique is employed since it entails no artificially imposed elastic boundary around the defect. The interatomic potential has no adjustable parameters and was derived from pseudopotential theory. The resulting atomic displacements were allowed to relax in all three dimensions.

Esterling, D. M.↗