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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Object-Oriented/Data-Oriented Design of a Direct Simulation Monte Carlo Algorithm

Over the past decade, there has been much progress towards improved phenomenological modeling and algorithmic updates for the direct simulation Monte Carlo (DSMC) method, which provides a probabilistic physical simulation of gas Rows. These improvements have largely been based on the work of the originator of the DSMC method, Graeme Bird. Of primary importance are improved chemistry, internal energy, and physics modeling and a reduction in time to solution. These allow for an expanded range of possible solutions In altitude and velocity space. NASA's current production code, the DSMC Analysis Code (DAC), is well-established and based on Bird's 1994 algorithms written in Fortran 77 and has proven difficult to upgrade. A new DSMC code is being developed in the C++ programming language using object-oriented and data-oriented design paradigms to facilitate the inclusion of the recent improvements and future development activities. The development efforts on the new code, the Multiphysics Algorithm with Particles (MAP), are described, and performance comparisons are made with DAC.

Liechty, Derek S.↗
NASA NTRS2012

Chemical and Hydrodynamical Models of Cometary Comae

Multi-fluid modelling of the outflowing gases which sublimate from cometary nuclei as they approach the Sun is necessary for understanding the important physical and chemical processes occurring in this complex plasma. Coma chemistry models can be employed to interpret observational data and to ultimately determine chemical composition and structure of the nuclear ices and dust. We describe a combined chemical and hydrodynamical model [1] in which differential equations for the chemical abundances and the energy balance are solved as a function of distance from the cometary nucleus. The presence of negative ions (anions) in cometary comae is known from Giotto mass spectrometry of 1P/Halley. The anions O(-), OH(-), C(-), CH(-) and CN(-) have been detected, as well as unidentified anions with masses 22-65 and 85-110 amu [2]. Organic molecular anions such as C4H(-) and C6H(-) are known to have a significant impact on the charge balance of interstellar clouds and circumstellar envelopes and have been shown to act as catalysts for the gas-phase synthesis of larger hydrocarbon molecules in the ISM, but their importance in cometary comae has not yet been fully explored. We present details of new models for the chemistry of cometary comae that include atomic and molecular anions and calculate the impact of these anions on the coma physics and chemistry af the coma.

Charnley, Steven↗
NASA NTRS1972

Some Concepts in Reaction Dynamics

In 1929 London 1 published a very approximate solution of the Schroedinger equation for a system of chemical interest: H3. To the extent that chemistry can be regarded as existing separately from physics, this was a landmark in the history of chemistry, comparable in importance to the landmark in the history of physics marked by the appearance of the Heitler-London equation for H2. The expression for H3, was, of necessity, even less accurate than that for H2, but chemists, like the habitual poor, were accustomed to this sort of misfortune. Together with the physicists they enjoyed the sensation of living in a renaissance. The physicists still could not calculate a great deal that was of interest to them, and the chemists could calculate less, but both could now dream. It would be too easy to say that their dreams were dreams of unlimited computer time. Their dreams were a lot more productive than that. Two years after London published his equation, H. Eyring and M. Polanyi obtained the first numerical energy surface for H3. They infused the London equation with a measure of empiricism to produce an energy surface which, whether or not it was correct in its details, provided a basis for further speculations of an important sort. The existence of a tangible energy surface in 1931 stimulated speculation along two different lines. The following year Pelzer and Wigner used this London-Eyring-Polanyi (LEP) energy surface for a thermodynamic treatment of the reaction rate in H + H2. This important development reached its full flowering a few years later. In these remarks I shall be concerned with another line of development. A second more-or-less distinct category of speculation that began with (and, indeed, in) the 1931 paper has to do with the dynamics of individual reactive encounters under the influence of specified interaction potentials.

Polannyi, John C.↗
NASA NTRS2002

Interesting Scientific Questions Regarding Interactions in the Gas-aerosol-cloud System

The growth of human population and their use of land, food and energy resources affect the Earth's atmosphere, biosphere and oceans in a complex manner. Many important questions in earth sciences today deal with issues regarding the impact of human activities on our immediate and future environment, ranging in scope from local (i.e. air pollution) to global (i.e. global warming) scale problems. Because the mass of the Earth's atmosphere is negligible compare to that found in the oceans and the biosphere, the atmosphere can respond quickly to natural and/or manmade perturbations. For example, seasonal 'ozone hole' formation in the Antarctic is a result of manmade CFC emissions in just the last 40 years. Also, the observed rise in global temperatures (known as global warming) is linked to a rapid increase in carbon dioxide and other greenhouse gas concentrations (emitted primarily by combustion processes) over the last century. The Earth's atmosphere is composed of a mixture of gases, aerosol and cloud particles. Natural and anthropogenic emissions of gases and aerosols affect the composition of the Earth's atmosphere. Changes in the chemical and physical makeup of the atmosphere can influence how the Earth will interact with the incoming solar radiation and the outgoing infrared radiation and vise versa. While, some perturbations are short-lived, others are long-lived and can affect the Earth's global climate and chemistry in many decades to come, In order to be able to separate the natural effects from anthropogenic ones, it is essential that we understand the basic physics and chemistry of interactions in the gas-aerosol-cloud system in the Earth's atmosphere. The important physics and chemistry that takes place in the coupled gas-aerosol-cloud system as it relates to aircraft observations are discussed.

Tabazadeh, Azadeh↗
NASA NTRS1987

Implicit flux-corrected transport scheme for low-speed flow

A new high-order nonlinear Eulerian convection algorithm, the barely implicit correction (BIC)-FCT method, is presented. The BIC-FCT makes it possible to perform accurate, multidimensional, slow-flow calculations in which the fluid expansion is important. Owing to its low cost even in two dimensions, fairly detailed chemistry models and other physical processes can be included. Areas of BIC-FCT applicability include premixed flames, diffusion flames, and turbulent jet flames.

Patnaik, G.↗
NASA NTRS1988

Laser investigations for payload G-652 prior to filing pre-flight accommodation requirements

In anticipation of presenting the preflight accommodations requirements to NASA for approval, the physics, biology, electronic and chemistry aspects of laser experiments which are most advantageous to the flight are investigated. Preliminary laboratory evaluation was targeted with the realization that future flights of the shuttle may begin in 1988. It is the consensus that during the holding time before the resumption of flights, there is an extra margin of perfection which is possible and that the period prior to flight is advantageous technologically. The problems that can be encountered in space flown laser systems are addressed and the analysis of data is offered as a model for preflight accommodation requirement filing.

Bellina, Joseph↗
NASA NTRS2003

Scientific Visualization & Modeling for Earth Systems Science Education

Providing research experiences for undergraduate students in Earth Systems Science (ESS) poses several challenges at smaller academic institutions that might lack dedicated resources for this area of study. This paper describes the development of an innovative model that involves students with majors in diverse scientific disciplines in authentic ESS research. In studying global climate change, experts typically use scientific visualization techniques applied to remote sensing data collected by satellites. In particular, many problems related to environmental phenomena can be quantitatively addressed by investigations based on datasets related to the scientific endeavours such as the Earth Radiation Budget Experiment (ERBE). Working with data products stored at NASA's Distributed Active Archive Centers, visualization software specifically designed for students and an advanced, immersive Virtual Reality (VR) environment, students engage in guided research projects during a structured 6-week summer program. Over the 5-year span, this program has afforded the opportunity for students majoring in biology, chemistry, mathematics, computer science, physics, engineering and science education to work collaboratively in teams on research projects that emphasize the use of scientific visualization in studying the environment. Recently, a hands-on component has been added through science student partnerships with school-teachers in data collection and reporting for the GLOBE Program (GLobal Observations to Benefit the Environment).

Chaudhury, S. Raj↗
NASA NTRS2004

Computational Aerothermodynamic Simulation Issues on Unstructured Grids

The synthesis of physical models for gas chemistry and turbulence from the structured grid codes LAURA and VULCAN into the unstructured grid code FUN3D is described. A directionally Symmetric, Total Variation Diminishing (STVD) algorithm and an entropy fix (eigenvalue limiter) keyed to local cell Reynolds number are introduced to improve solution quality for hypersonic aeroheating applications. A simple grid-adaptation procedure is incorporated within the flow solver. Simulations of flow over an ellipsoid (perfect gas, inviscid), Shuttle Orbiter (viscous, chemical nonequilibrium) and comparisons to the structured grid solvers LAURA (cylinder, Shuttle Orbiter) and VULCAN (flat plate) are presented to show current capabilities. The quality of heating in 3D stagnation regions is very sensitive to algorithm options in general, high aspect ratio tetrahedral elements complicate the simulation of high Reynolds number, viscous flow as compared to locally structured meshes aligned with the flow.

Gnoffo, Peter A.↗
NASA NTRS2004

Exploring the Interstellar Medium with SOFIA

SOFIA, the Stratospheric Observatory for Infrared Astronomy, is being developed to operate at wavelengths from 0.3 microns to 1.6 mm over a 20 year lifetime. Its 2.5 m effective diameter telescope will be diffraction limited (approximately 8.5 arc seconds FWHM at 100 microns) at wavelengths beyond about 5 microns. Its B747SP aircraft platform will allow coverage of the entire sky and enable observation of ephemeral events. Nine first-generation focal plane instruments are being built, and more will be added later. These attributes assure SOFIA a vital role in future studies of the interstellar medium (ISM), in addition to topics such as the solar system. SOFIA observers will explore the gamut of ISM topics: star formation; the Galactic Center; debris disks; recycling of materials through the stellar life cycle; the origin and evolution of biogenic materials; shock, photodissociation, and photoexcitation physics; gas and grain chemistry. Imaging, spectroscopy, and eventually polarimetry covering much of the infrared spectrum will all be part of SOFIA's arsenal in the attack on these and other important problems. The talk will describe the observatory, its status, its science instruments and anticipated program. SOFIA is a joint program of NASA in the U.S. and DLR in Germany. Broad participation by the international science community in SOFIA observations will be encouraged via annual proposal opportunities and user-friendly tools. Roughly 80% of the observing time will be granted by the U.S. and 20% by Germany. For further information, see http://sofia.arc.nasa.gov.

Erickson, Edwin F.↗
NASA NTRS2005

The features of self-assembling organic bilayers important to the formation of anisotropic inorganic materials in microgravity conditions

Materials with directional properties are opening new horizons in a variety of applications including chemistry, electronics, and optics. Structural, optical, and electrical properties can be greatly augmented by the fabrication of composite materials with anisotropic microstructures or with anisotropic particles uniformly dispersed in an isotropic matrix. Examples include structural composites, magnetic and optical recording media, photographic film, certain metal and ceramic alloys, and display technologies including flat panel displays. The new applications and the need for model particles in scientific investigations are rapidly out-distancing the ability to synthesize anisotropic particles with specific chemistries and narrowly distributed physical characteristics (e.g. size distribution, shape, and aspect ratio).

Talham, Daniel R.↗
NASA NTRS1998

Cometary Dust

This chapter reviews the history of cometary dust investigations. the individual sections describe the progress achieved in the undestanding of the dynamical propoerties of cometary dust, its optical, thermal, and other physical properties, and its chemistry.

cometary dust dynamical properties cometary dust c↗
NASA NTRS2016

WRF-Chem Simulations of Lightning-NOx Production and Transport in Oklahoma and Colorado Thunderstorms Observed During DC3

The focus of this analysis is on lightning-generated nitrogen oxides (LNOx) and their distribution for two thunderstorms observed during the Deep Convective Clouds and Chemistry (DC3) field campaign in May-June 2012. The Weather Research and Forecasting Chemistry (WRF-Chem) model is used to perform cloud-resolved simulations for the May 29-30 Oklahoma severe convection, which contained one supercell, and the June 6-7 Colorado squall line. Aircraft and ground-based observations (e.g., trace gases, lightning and radar) collected during DC3 are used in comparisons against the model-simulated lightning flashes generated by the flash rate parameterization schemes (FRPSs) incorporated into the model, as well as the model-simulated LNOx predicted in the anvil outflow. Newly generated FRPSs based on DC3 radar observations and Lightning Mapping Array data are implemented in the model, along with previously developed schemes from the literature. The results of these analyses will also be compared between storms to investigate which FRPSs were most appropriate for the two types of convection and to examine the variation in the LNOx production. The simulated LNOx results from WRF-Chem will also be compared against other previously studied mid-latitude thunderstorms.

Lightning↗
NASA NTRS2021

Coexisting Quantum Gases in Earth’s Orbit

Summary: Ultracold atomic gases provide a unique tool for exploring the quantum nature of matter and for probing the foundations of modern physics. Researchers with NASA’s Cold Atom Lab (CAL) have now simultaneously produced gases of two atomic species (rubidium and potassium) in a uniquely quantum (wave-like) phase of matter called a Bose-Einstein condensate (BEC) for the first time in space. CAL scientists are using the unique micro gravity environment onboard the International Space Station to study interactions, molecule formation, and the emergence of structure and complexity in these coexisting dual-species gases at unprecedented low temperatures, for long times in free fall, and specifically in the absence of the perturbing force of gravity.

quantum gases↗
NASA NTRSDate not supplied

Computational Investigation of the Effect of Chemistry on Mars Supersonic Retropropulsion Environments

Retropropulsion ground tests require significant compromises on physical scale, instrumentation, configuration, and environments. Matching the full Martian environment is simply not possible on Earth. Ground tests of retropropulsion configurations thus far have neglected effects of chemistry due to physical constraints of wind tunnel models and facilities; most experiments use inert simulant gases at relatively low temperatures. As such, a strong reliance on high-fidelity computational analyses is required to expand the knowledge of retropropulsion aerodynamics. In this work, we investigate the effects of chemistry using scale-resolving computational fluid dynamics (CFD) with finite-rate chemistry and a graphics processing unit (GPU)-enabled implementation of the NASA FUN3D flow solver on a human-scale Mars lander concept at supersonic freestream conditions. Results are compared to previous perfect gas simulations.

retropropulsion↗
NASA NTRSDate not supplied

Computational Investigation of the Effect of Chemistry on Mars Supersonic Retropropulsion Environments

Retropropulsion ground tests require significant compromises on physical scale, instrumentation, configuration, and environments. Matching the full Martian environment is simply not possible on Earth. Ground tests of retropropulsion configurations thus far have neglected effects of chemistry due to physical constraints of wind tunnel models and facilities; most experiments use inert simulant gases at relatively low temperatures. As such, a strong reliance on high-fidelity computational analyses is required to expand the knowledge of retropropulsion aerodynamics. In this work, we investigate the effects of chemistry using scale-resolving computational fluid dynamics (CFD) with finite-rate chemistry and a graphics processing unit (GPU)-enabled implementation of the NASA FUN3D flow solver on a human-scale Mars lander concept at supersonic freestream conditions. Results are compared to previous perfect gas simulations.

retropropulsion↗
NASA NTRS1987

Composition, structure, and chemistry of interstellar dust

Different dust components present in the interstellar medium (IM) such as amorphous carbon, polycyclic aromatic hydrocarbons, and those IM components which are organic refractory grains and icy grain mantles are discussed as well as their relative importance. The physical properties of grain surface chemistry are discussed with attention given to the surface structure of materials, the adsorption energy and residence time of species on a grain surface, and the sticking probability. Consideration is also given to the contribution of grains to the gas-phase composition of molecular clouds.

Tielens, A. G. G. M.↗
NASA NTRS1967

Cumulative Index to NASA Tech Briefs, 1963 - 1966

Cumulative index of NASA Tech Briefs dealing with electrical and electronic, physical science and energy sources, materials and chemistry, life science, and mechanical innovations

MATERIALS SCIENCE↗
NASA NTRS1998

Predictive Models for Semiconductor Device Design and Processing

The device feature size continues to be on a downward trend with a simultaneous upward trend in wafer size to 300 mm. Predictive models are needed more than ever before for this reason. At NASA Ames, a Device and Process Modeling effort has been initiated recently with a view to address these issues. Our activities cover sub-micron device physics, process and equipment modeling, computational chemistry and material science. This talk would outline these efforts and emphasize the interaction among various components. The device physics component is largely based on integrating quantum effects into device simulators. We have two parallel efforts, one based on a quantum mechanics approach and the second, a semiclassical hydrodynamics approach with quantum correction terms. Under the first approach, three different quantum simulators are being developed and compared: a nonequlibrium Green's function (NEGF) approach, Wigner function approach, and a density matrix approach. In this talk, results using various codes will be presented. Our process modeling work focuses primarily on epitaxy and etching using first-principles models coupling reactor level and wafer level features. For the latter, we are using a novel approach based on Level Set theory. Sample results from this effort will also be presented.

Meyyappan, Meyya↗