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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

State Relationships of Laminar Permanently-Blue Opposed-Jet Hydrocarbon-Fueled Diffusion Flames

The structure and state relationships of laminar soot-free (permanently-blue) diffusion flames at various strain rates were studied experimentally using an opposed-jet configuration, motivated by the importance of soot-free hydrocarbon-fueled diffusion flames for many practical applications. Measurements of gas velocities, temperatures and compositions were carried out along the stagnation stream line. Flame conditions studied included propylene- and 1,3-butadiene-fueled opposed-jet diffusion flames having a stoichiometric mixture fractions of 0.7 and strain rates of 60-240/s at normal temperature and pressure. It was found that oxygen leakage to fuel-rich conditions and carbon monoxide leakage to fuel-lean conditions both increased as strain rates increased. Furthermore, increased strain rates caused increased fuel concentrations near the flame sheet decreased peak gas temperatures, and decreased concentrations of carbon dioxide and water vapor throughout the flames. State relationships for major gas species and gas temperatures for these flames were found to exist over broad ranges of strain rates. In addition, current measurements, as well as previous measurements and predictions of ethylene-fueled permanently-blue diffusion flames, all having a stoichiometric mixture fraction of 0.7, were combined to establish generalized state relationships for permanently-blue diffusion flames for this stoichiometric mixture fraction. The combined measurements and predictions support relatively universal generalized state relationships for N2, CO2, H2O and fuel over a broad range of strain rates and fuel types. State relationships for O2 in the fuel-rich region, and for CO in the fuel-lean region, however, are functions of strain rate and fuel type. State relationships for H2 and temperature exhibit less universality, mainly due to the increased experimental uncertainties for these variables. The existence of state relationships for soot-free hydrocarbon-fueled diffusion flames provides potential for significant computational simplifications for modeling purposes in many instances, allowing for effects of finite-rate chemistry while avoiding time-consuming computations of Arrhenius expressions.

Lin, K.-C.↗
NASA NTRS2000

State Relationships of Laminar Permanently-Blue Opposed-Jet Hydrocarbon-Fueled Diffusion Flames

The structure and state relationships of laminar soot-free (permanently-blue) diffusion flames at various strain rates were studied experimentally using an opposed-jet configuration, motivated by the importance of soot-free hydrocarbon-fueled diffusion flames for many practical applications. Measurements of gas velocities, temperatures and compositions were carried out along the stagnation stream line. Flame conditions studied included propylene- and 1,3-butadiene-fueled opposed-jet diffusion flames having a stoichiometric mixture fractions of 0.7 and strain rates of 60-240 s (exp -1) at normal temperature and pressure. It was found that oxygen leakage to fuel-rich conditions and carbon monoxide leakage to fuel-lean conditions both increased as strain rates increased. Furthermore, increased strain rates caused increased fuel concentrations near the flame sheet, decreased peak gas temperatures, and decreased concentrations of carbon dioxide and water vapor throughout the flames. State relationships for major gas species and gas temperatures for these flames were found to exist over broad ranges of strain rates. In addition, current measurements, as well as previous measurements and predictions of ethylene-fueled permanently-blue diffusion flames, all having a stoichiometric mixture fraction of 0.7, were combined to establish generalized state relationships for permanently-blue diffusion flames for this stoichiometric mixture fraction. The combined measurements and predictions support relatively universal generalized state relationships for N2, CO2, H2O and fuel over a broad range of strain rates and fuel types. State relationships for O2 in the fuel-rich region, and for CO in the fuel-lean region, however, are functions of strain rate and fuel type. State relationships for H2 and temperature exhibit less universality, mainly due to the increased experimental uncertainties for these variables. The existence of state relationships for soot-free hydrocarbon-fueled diffusion flames provides potential for significant computational simplifications for modeling purposes in many instances, allowing for effects of finite-rate chemistry while avoiding time-consuming computations of Arrhenius expressions.

Lin, K.-C.↗
NASA NTRS1989

Real gas flow computations using algebraic reduction

It is shown that algebraic reduction can be extensively used in the computation of source terms for chemical species in chemically reacting flow fields. Cases of computation from chemical equilibrium and frozen chemistry are considered. For the case of chemical equilibrium the implementation of algebraic reduction method is shown to produce satisfactory results with computational efficiency better than comparable methods. For the case of finite rate chemistry, algebraic reduction of the source term expression for the species is used to obtain a directly integrable expression.

Nagaraj, N.↗
NASA NTRS1996

Parallel-Processing Test Bed For Simulation Software

Second-generation Hypercluster computing system is multiprocessor test bed for research on parallel algorithms for simulation in fluid dynamics, electromagnetics, chemistry, and other fields with large computational requirements but relatively low input/output requirements. Built from standard, off-shelf hardware readily upgraded as improved technology becomes available. System used for experiments with such parallel-processing concepts as message-passing algorithms, debugging software tools, and computational steering. First-generation Hypercluster system described in "Hypercluster Parallel Processor" (LEW-15283).

Blech, Richard↗
NASA NTRS1993

Comparison of FDNS liquid rocket engine plume computations with SPF/2

Prediction of a plume's shape and structure is essential to the evaluation of base region environments. The JANNAF standard plume flowfield analysis code SPF/2 predicts plumes well, but cannot analyze base regions. Full Navier-Stokes CFD codes can calculate both zones; however, before they can be used, they must be validated. The CFD code FDNS3D (Finite Difference Navier-Stokes Solver) was used to analyze the single plume of a Space Transportation Main Engine (STME) and comparisons were made with SPF/2 computations. Both frozen and finite rate chemistry models were employed as well as two turbulence models in SPF/2. The results indicate that FDNS3D plume computations agree well with SPF/2 predictions for liquid rocket engine plumes.

Kumar, G. N.↗
NASA NTRS1974

Simulation of lunar carbon chemistry. II - Lunar winds contribution

Simulation experiments, computations, and analysis of glassy agglutinates show that a directly condensed lunar wind vapor phase is strongly depleted in carbon and sulfur compounds and may recrystallize rapidly in the lunar thermal cycle and separate from host crystals. Factors preventing identification of low-energy species implanted from the lunar atmosphere are discussed. Computational results indicate that the implanted lunar winds carbon originates both from the vapor phases injected into the lunar atmosphere during thermal metamorphism of mature lunar soil grains and from direct volatization of impacting micrometeorites. It is suggested that microglass splashes and tiny crystalline grains possibly attached to the surface of coarser grains do not affect the characteristics of solar wind carbon chemistry in the lunar soil.

Bibring, J. P.↗
NASA NTRS2016

Computing Highly Accurate Spectroscopic Line Lists for Characterization of Planetary Atmospheres: CO2 and SO2 Line Lists Needed for Modeling Venus

Over the last decade, it has become apparent that the most effective approach for determining highly accurate rotational and rovibrational line lists for molecules of interest in planetary atmospheres and other astrophysical environments is through a combination of highresolution laboratory experiments coupled with state-of-the art ab initio quantum chemistry methods. The approach involves computing the most accurate potential energy surface (PES) possible using state-of-the art electronic structure methods, followed by computing rotational and rovibrational energy levels using an exact variational method to solve the nuclear Schrödinger equation. Then, reliable experimental data from high-resolution experiments is used to refine the ab initio PES in order to improve the accuracy of the computed energy levels and transition energies. From the refinement step, we have been able to achieve an accuracy of approximately 0.015 cm-1 for rovibrational transition energies, and even better for purely rotational transitions. This combined "experiment / theory" approach allows for determination of essentially a complete line list, with hundreds of millions of transitions, and having the transition energies and intensities be highly accurate. Our group has successfully applied this approach to determine highly accurate line lists for NH3, CO2 and isotopologues, and SO2 and isotopologues. Here I will report our latest results for CO2 and SO2 including all isotopologues. Comparisons to the available data in HITRAN2012 and other available databases will be shown, though we note that our line lists for SO2 are significantly more complete than any other databases. Since it is important to span a large temperature range in order to model the spectral signature of Venus as well as exoplanets, we will demonstrate how the spectra change on going from low temperatures (100 K) to higher temperatures (500 K to 1500 K).

potential energy surface (PES)5405 PLANETARY SCIEN↗
NASA NTRS2011

Computational Experiments for Science and Engineering Education

How to integrate simulation-based engineering and science (SBES) into the science curriculum smoothly is a challenging question. For the importance of SBES to be appreciated, the core value of simulations-that they help people understand natural phenomena and solve engineering problems-must be taught. A strategy to achieve this goal is to introduce computational experiments to the science curriculum to replace or supplement textbook illustrations and exercises and to complement or frame hands-on or wet lab experiments. In this way, students will have an opportunity to learn about SBES without compromising other learning goals required by the standards and teachers will welcome these tools as they strengthen what they are already teaching. This paper demonstrates this idea using a number of examples in physics, chemistry, and engineering. These exemplary computational experiments show that it is possible to create a curriculum that is both deeper and wider.

Xie, Charles↗
NASA NTRS1976

Mixing and combustion of an underexpanded H2 jet in supersonic flow

Theoretical calculations are compared with experimental data in an investigation of the injection, mixing, and combustion of an underexpanded hydrogen jet in a supersonic test stream. The experimental tests in reacting and nonreacting flows were conducted by use of air and nitrogen as test media. Tests were conducted in a free jet and a ducted mode. Theoretical calculations were performed with a modified viscous characteristics analysis. The computer program employs finite rate chemistry and a turbulent viscosity model which varies radially and axially; it handles exit shock waves, expansion fans, and thermal compressions generated in the reacting flow fields. Comparison of the theory and experimental data indicates good agreement for the near flow field; this agreement is directly related to the explicit handling of the near-field shock and expansion waves. Less satisfactory agreement at downstream locations for both free jet and ducted flows is attributed to the lack of continued computation of the shocks and expansions in the far field.

Jenkins, R. V.↗
NASA NTRS1979

Critical influence of finite rate chemistry and unmixedness on ignition and combustion of supersonic H2-air streams

Good agreement has been obtained between published profiles of composition and pitot pressure and the calculated results from a computer program in which finite rate chemistry was used. Significant differences are noted between results calculated using 7 species and 8 reactions and those calculated using 12 species and 25 reactions. Differences are also found between results in which the effect of unmixedness on reaction in turbulent flow is applied or is not applied.

Evans, J. S.↗
NASA NTRS2021

Grid-Stretching Capability for the GEOS-Chem 13.0.0 Atmospheric Chemistry Model

Modeling atmospheric chemistry at fine resolution globally is computationally expensive; the capability to focus on specific geographic regions using a multi scale grid is desirable. Here, we develop, validate, and demonstrate stretched grids in the GEOS-Chem atmospheric chemistry model in its high-performance implementation (GCHP). These multiscale grids are specified at runtime by four parameters that offer users nimble control of the region that is refined and the resolution of the refinement. We validate the stretched-grid simulation versus global cubed-sphere simulations. We demonstrate the operation and flexibility of stretched-grid simulations with two case studies that compare simulated tropospheric NO2column densities from stretched-grid and cubed-sphere simulations to retrieved column densities from the TROPOspheric Monitoring Instrument (TROPOMI). The first case study uses a stretched grid with a broad refinement covering the contiguous US to produces imulated columns that perform similarly to a C180 (∼50 km) cubed-sphere simulation at less than one-ninth the computational expense. The second case study experiments with a large stretch-factor for a global stretched-grid simulation with a highly localized refinement with∼10 km resolution for California. We find that the refinement improves spatial agreement with TROPOMI columns compared to a C90 cubed-sphere simulation of comparable computational demands. Overall we find that stretched grids in GEOS-Chem are a practical tool for fine resolution regional- or continental-scale simulations of atmospheric chemistry. Stretched grids are available in GEOS-Chem version 13.0.0

GEOS-Chem↗
NASA NTRS2019

Accelerated Simulation of Air Pollution Using NVIDIA RAPIDS

Atmospheric chemistry models are a central tool to study and forecast the impact of air pollution on the environment, vegetation, and human health. However, the numerical simulation of chemical kinetics is computationally expensive due to the stiffness of the system of ordinary differential equations that describes atmospheric chemistry. Here we present an alternative approach to the computation of atmospheric chemistry based on machine learning. Our training data set is produced using the NASA Goddard Earth Observing System (GEOS) model with GEOS-Chem chemistry, run on the NASA Center for Climate Simulation (NCCS) Discover supercomputing cluster on 384 Intel Xeon Haswell cores. This model spends more than 50% of total run time on solving atmospheric chemistry. The data set contains as input features the air pollution concentrations before solving the differential equations, together with some key physical parameters such as temperature and sun intensity. As target variables we define the air pollution concentrations after solving the differential equations. Using Dask-cuDF and Dask-XGBoost on the NVIDIA RAPIDS platform on 8 Tesla V100 GPUs, we generate from this training set gradient boosted decision tree models that can reproduce the simulation of chemical kinetics. We do this on the NCCS Advanced Data Analytics Platform (ADAPT) science cloud environment. Our application takes full advantage of recent advances in Dask-XGBoost, such as multi-node and multi-GPU scaling for distributed training with large data sets. The increase in training data size enabled by this is critical to capture the full range of chemical environments encountered across the globe and all annual seasons.The boosted tree models offer good predictability and show many of the features of the full chemistry reference simulation. Further improvements can be achieved through mass balance considerations and by accounting for error correlations. We incorporate the boosted tree models into the GEOS reference model using XGBoost's C API. This enables a seamless integration of the GPU trained models into GEOS-Chem, which is written in Fortran and optimized for use in a massively parallel CPU environment. We show the benefits of this approach and discuss the potential speedup of this machine learning accelerated atmospheric chemistry model.

Keller, Christoph A.↗
NASA NTRS1988

Overview of CFD methods and comparison with flight aerothermal data

An overview of previously published aerothermal investigations which demonstrate the capabilities of detailed computational fluid dynamics and engineering codes to predict the aerothermal environment about an entry vehicle is presented. The overview consists of a brief discussion of the computational methods and experimental data and includes comparisons between the computed results and data. The overview focuses primarily on analyses of flight data since these data provide the unique capability to assess the real-gas chemistry options in the codes. The computed results are based on a series of codes which are employed by the Aerothermodynamics Branch of the Space System Division at the Langley Research Center. The flight data, which were measured on the Reentry F, the Space Shuttle, and the Fire II vehicles, represent a wide range of vehicle configurations and freestream conditions. Also, results of one recent set of ground tests are included since the tests provide data on a model of a pending flight project. The comparisons of the predicted results and data demonstrate the adequacy of the present computational fluid dynamics capabilities and indicate the potential to predict the aerothermal environment about future flight vehicles.

Sutton, Kenneth↗
NASA NTRS1992

Aeronautical engineering: A continuing bibliography with indexes (supplement 280)

This bibliography lists 647 reports, articles, and other documents introduced into the NASA scientific and technical information system in June, 1991. Subject coverage includes: aerodynamics, air transportation safety, aircraft communication and navigation, aircraft design and performance, aircraft instrumentation, aircraft propulsion, aircraft stability and control, research facilities, astronautics, chemistry and materials, engineering, geosciences, computer sciences, physics, and social sciences.

Source record↗
NASA NTRS1997

Computational Nanotechnology Program

The objectives are: (1) development of methodological and computational tool for the quantum chemistry study of carbon nanostructures and (2) development of the fundamental understanding of the bonding, reactivity, and electronic structure of carbon nanostructures. Our calculations have continued to play a central role in understanding the outcome of the carbon nanotube macroscopic production experiment. The calculations on buckyonions offer the resolution of a long controversy between experiment and theory. Our new tight binding method offers increased speed for realistic simulations of large carbon nanostructures.

Scuseria, Gustavo E.↗
NASA NTRS2006

Development of Comprehensive Reduced Kinetic Models for Supersonic Reacting Shear Layer Simulations

Large-scale simulations of multi-dimensional unsteady turbulent reacting flows with detailed chemistry and transport can be computationally extremely intensive even on distributed computing architectures. With the development of suitable reduced chemical kinetic models, the number of scalar variables to be integrated can be decreased, leading to a significant reduction in the computational time required for the simulation with limited loss of accuracy in the results. A general MATLAB-based automated mechanism reduction procedure is presented to reduce any complex starting mechanism (detailed or skeletal) with minimal human intervention. Based on the application of the quasi steady-state (QSS) approximation for certain chemical species and on the elimination of the fast reaction rates in the mechanism, several comprehensive reduced models, capable of handling different fuels such as C2H4, CH4 and H2, have been developed and thoroughly tested for several combustion problems (ignition, propagation and extinction) and physical conditions (reactant compositions, temperatures, and pressures). A key feature of the present reduction procedure is the explicit solution of the concentrations of the QSS species, needed for the evaluation of the elementary reaction rates. In contrast, previous approaches relied on an implicit solution due to the strong coupling between QSS species, requiring computationally expensive inner iterations. A novel algorithm, based on the definition of a QSS species coupling matrix, is presented to (i) introduce appropriate truncations to the QSS algebraic relations and (ii) identify the optimal sequence for the explicit solution of the concentration of the QSS species. With the automatic generation of the relevant source code, the resulting reduced models can be readily implemented into numerical codes.

Zambon, A. C.↗
NASA NTRS1970

Cumulative Index to NASA Tech Briefs 1963-1969

Tech Briefs are short announcements of new technology derived from the research and development activities of the National Aeronautics and Space Administration. These briefs emphasize information considered likely to be transferrable across industrial, regional, or disciplinary lines and are issued to encourage commercial application. This Cumulative index to NASA Tech Briefs lists those published from 1963 through 1969. The main listing is divided into six categokies: Electrical (Electronic), Physical Sciences (Energy Sources), Materials (Chemistry), Life Sciences, Mechanical, and Computer Programs.

Source record↗
NASA NTRS1969

Cumulative Index to NASA Tech Briefs

Tech Briefs are short announcements of new technology derived from the R&D activities of the National Aeronautics and Space Administration. This Index to NASA Tech Briefs lists the technological innovations derived from the U.S. space program and published during the period January through December 1968. A new five year cycle of cumulative indexes begins with this index. The main section is arranged in six categories: Electrical (Electronic); Physical Sciences (Energy Sources); Materials (Chemistry); Life Sciences; Mechanical; and Computer Programs.

Source record↗