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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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NASA NTRS1999

Linear Scaling Density Functional Calculations with Gaussian Orbitals

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Scuseria, Gustavo E.↗
NASA NTRS2002

Role of Satellite Rainfall Information in Improving Understanding of the Dynamical Link Between the Tropics and Extratropics Prospects of Improved Forecasts of Weather and Short-Term Climate Variability on Sub-Seasonal Time Scales

The tropics and extratropics are two dynamically distinct regimes. The coupling between these two regimes often defies simple analytical treatment. Progress in understanding of the dynamical interaction between the tropics and extratropics relies on better observational descriptions to guide theoretical development. However, global analyses currently contain significant errors in primary hydrological variables such as precipitation, evaporation, moisture, and clouds, especially in the tropics. Tropical analyses have been shown to be sensitive to parameterized precipitation processes, which are less than perfect, leading to order-one discrepancies between estimates produced by different data assimilation systems. One strategy for improvement is to assimilate rainfall observations to constrain the analysis and reduce uncertainties in variables physically linked to precipitation. At the Data Assimilation Office at the NASA Goddard Space Flight Center, we have been exploring the use of tropical rain rates derived from the TRMM Microwave Imager (TMI) and the Special Sensor Microwave/ Imager (SSM/I) instruments in global data assimilation. Results show that assimilating these data improves not only rainfall and moisture fields but also related climate parameters such as clouds and radiation, as well as the large-scale circulation and short-range forecasts. These studies suggest that assimilation of microwave rainfall observations from space has the potential to significantly improve the quality of 4-D assimilated datasets for climate investigations (Hou et al. 2001). In the next few years, there will be a gradual increase in microwave rain products available from operational and research satellites, culminating to a target constellation of 9 satellites to provide global rain measurements every 3 hours with the proposed Global Precipitation Measurement (GPM) mission in 2007. Continued improvements in assimilation methodology, rainfall error estimates, and model parameterizations are needed to ensure that we derive maximum benefits from these observations.

Hou, Arthur Y.↗
NASA NTRS1951

The Effect of Nose Shape on the Drag of Bodies of Revolution at Zero Angle of Attack

The subject of this paper is the drag of the nose section of bodies of revolution at zero angle of attack. The magnitude of the nose drag in relation to the total drag is very distinctly a function of the body design and the Mach number. It can range from a very small fraction of the total drag of the order of 10 percent to a very large fraction as high as 80 percent. The natural objective of nose design is to minimize the drag, but this objective is not always the primary one. Sometimes other factors overshadow the desire for minimum drag. The most conspicuous example of this is the proposal of guidance engineers that large-diameter spheres and other very blunt shapes be used at the nose tip. This paper will attempt to discuss both phases of the problem, noses for minimum drag and noses with very blunt tips. The state of the theory will also be reviewed and recent theoretical developments described, since the theory still remains a very valuable tool for assaying the effects of compromises in design and departure from shapes for which experimental data are available.

Seiff, Alvin↗
NASA NTRS2004

Study of Vacuum Energy Physics for Breakthrough Propulsion

This report summarizes the accomplishments during a three year research project to investigate the use of surfaces, particularly in microelectromechanical systems (MEMS), to exploit quantum vacuum forces. During this project, we developed AFM instrumentation to repeatably measure Casimir forces in the nanoNewton range at 10 6 torr, designed an experiment to measure attractive and repulsive quantum vacuum forces, developed a QED based theory of Casimir forces that includes non-ideal material properties for rectangular cavities and for multilayer slabs, developed theoretical models for a variety of microdevices utilizing vacuum forces, applied vacuum physics to a gedanken spacecraft, and investigated a new material with a negative index of refraction.

Millis, Marc G.↗
NASA NTRS2005

Modeling of Turbulence Effects on Liquid Jet Atomization and Breakup

Recent experimental investigations and physical modeling studies have indicated that turbulence behaviors within a liquid jet have considerable effects on the atomization process. This study aims to model the turbulence effect in the atomization process of a cylindrical liquid jet. Two widely used models, the Kelvin-Helmholtz (KH) instability of Reitz (blob model) and the Taylor-Analogy-Breakup (TAB) secondary droplet breakup by O Rourke et al, are further extended to include turbulence effects. In the primary breakup model, the level of the turbulence effect on the liquid breakup depends on the characteristic scales and the initial flow conditions. For the secondary breakup, an additional turbulence force acted on parent drops is modeled and integrated into the TAB governing equation. The drop size formed from this breakup regime is estimated based on the energy balance before and after the breakup occurrence. This paper describes theoretical development of the current models, called "T-blob" and "T-TAB", for primary and secondary breakup respectivety. Several assessment studies are also presented in this paper.

Trinh, Huu P.↗
NASA NTRS2004

Neural network uncertainty assessment using Bayesian statistics: a remote sensing application

Neural network (NN) techniques have proved successful for many regression problems, in particular for remote sensing; however, uncertainty estimates are rarely provided. In this article, a Bayesian technique to evaluate uncertainties of the NN parameters (i.e., synaptic weights) is first presented. In contrast to more traditional approaches based on point estimation of the NN weights, we assess uncertainties on such estimates to monitor the robustness of the NN model. These theoretical developments are illustrated by applying them to the problem of retrieving surface skin temperature, microwave surface emissivities, and integrated water vapor content from a combined analysis of satellite microwave and infrared observations over land. The weight uncertainty estimates are then used to compute analytically the uncertainties in the network outputs (i.e., error bars and correlation structure of these errors). Such quantities are very important for evaluating any application of an NN model. The uncertainties on the NN Jacobians are then considered in the third part of this article. Used for regression fitting, NN models can be used effectively to represent highly nonlinear, multivariate functions. In this situation, most emphasis is put on estimating the output errors, but almost no attention has been given to errors associated with the internal structure of the regression model. The complex structure of dependency inside the NN is the essence of the model, and assessing its quality, coherency, and physical character makes all the difference between a blackbox model with small output errors and a reliable, robust, and physically coherent model. Such dependency structures are described to the first order by the NN Jacobians: they indicate the sensitivity of one output with respect to the inputs of the model for given input data. We use a Monte Carlo integration procedure to estimate the robustness of the NN Jacobians. A regularization strategy based on principal component analysis is proposed to suppress the multicollinearities in order to make these Jacobians robust and physically meaningful.

Neural Networks (Computer)↗
NASA NTRS2001

Experiments Developed to Study Microgravity Smoldering Combustion

The overall objective of the Microgravity Smoldering Combustion (MSC) research program is to understand and predict smoldering combustion under normal and microgravity (near-zero-gravity) conditions to help prevent and control smolder-originated fires, in both environments. Smoldering is defined as a nonflaming, self-sustaining, propagating, exothermic surface reaction. If a material is sufficiently permeable, smoldering is not confined to its outer surface, but can propagate as a reaction wave through the interior of the material. The MSC program will accomplish its goals by conducting smolder experiments on the ground and in a space-based laboratory, and developing theoretical models of the process. Space-based experiments are necessary because smoldering is a very slow process and, consequently, its study in a microgravity environment requires extended periods of time that can only be achieved in space. Smoldering can occur in a variety of processes ranging from the smolder of porous insulating materials to underground coal combustion. Many materials can sustain smoldering, including wood, cloth, foams, tobacco, other dry organic materials, and charcoal. The ignition, propagation, transition to flaming, and extinction of the smolder reaction are controlled by complex, thermochemical mechanisms that are not well understood. As with many forms of combustion, gravity affects the availability of the oxidizer and the transport of heat, and therefore, the rate of combustion. The smoldering combustion of porous materials has been studied both experimentally and theoretically, usually in the context of fire safety. Smoldering encompasses a number of fundamental processes, including heat and mass transfer in a porous media; endothermic pyrolysis of combustible material; ignition, propagation, and extinction of heterogeneous exothermic reactions at the solid-gas pore interface; and the onset of gas phase reactions (flaming) from existing surface reactions. Smoldering presents a serious fire risk because the combustion can propagate slowly in a material's interior and go undetected for long periods of time. It typically yields a substantially higher conversion of fuel to toxic compounds than does flaming (though more slowly), and may undergo a sudden transition to flaming.

Vergilii, Franklin↗
NASA NTRS2006

The NASA Beyond Einstein Program

Einstein's legacy is incomplete, his theory of General relativity raises -- but cannot answer --three profound questions: What powered the big bang? What happens to space, time, and matter at the edge of a black hole? and What is the mysterious dark energy pulling the Universe apart? The Beyond Einstein program within NASA's Office of Space Science aims to answer these questions, employing a series of missions linked by powerful new technologies and complementary approaches towards shared science goals. The Beyond Einstein program has three linked elements which advance science and technology towards two visions; to detect directly gravitational wave signals from the earliest possible moments of the BIg Bang, and to image the event horizon of a black hole. The central element is a pair of Einstein Great Observatories, Constellation-X and LISA. Constellation-X is a powerful new X-ray observatory dedicated to X-Ray Spectroscopy. LISA is the first spaced based gravitational wave detector. These powerful facilities will blaze new paths to the questions about black holes, the Big Bang and dark energy. The second element is a series of competitively selected Einstein Probes, each focused on one of the science questions and includes a mission dedicated resolving the Dark Energy mystery. The third element is a program of technology development, theoretical studies and education. The Beyond Einstein program is a new element in the proposed NASA budget for 2004. This talk will give an overview of the program and the missions contained within it.

White, Nicholas E.↗
NASA NTRS1994

Development of an Aerosol Opacity Retrieval Algorithm for Use with Multi-Angle Land Surface Images

In 1998, the Multi-angle Imaging SpectroRadiometer (MISR) will fly aboard the EOS-AM1 spacecraft. MISR will enable unique methods for retrieving the properties of atmospheric aerosols, by providing global imagery of the Earth at nine viewing angles in four visible and near-IR spectral bands. As part of the MISR algorithm development, theoretical methods of analyzing multi-angle, multi-spectral data are being tested using images acquired by the airborne Advanced Solid-State Array Spectroradiometer (ASAS). In this paper we derive a method to be used over land surfaces for retrieving the change in opacity between spectral bands, which can then be used in conjunction with an aerosol model to derive a bound on absolute opacity.

Advanced Solid-State Array Spectroradiometer ASAS ↗
NASA NTRS2007

Determination of Combustion Product Radicals in a Hydrocarbon Fueled Rocket Exhaust Plume

The identification of metallic effluent materials in a rocket engine exhaust plume indicates the health of the engine. Since 1989, emission spectroscopy of the plume of the Space Shuttle Main Engine (SSME) has been used for ground testing at NASA's Stennis Space Center (SSC). This technique allows the identification and quantification of alloys from the metallic elements observed in the plume. With the prospect of hydrocarbon-fueled rocket engines, such as Rocket Propellant 1 (RP-1) or methane (CH4) fueled engines being considered for use in future space flight systems, the contributions of intermediate or final combustion products resulting from the hydrocarbon fuels are of great interest. The effect of several diatomic molecular radicals, such as Carbon Dioxide , Carbon Monoxide, Molecular Carbon, Methylene Radical, Cyanide or Cyano Radical, and Nitric Oxide, needs to be identified and the effects of their band systems on the spectral region from 300 nm to 850 nm determined. Hydrocarbon-fueled rocket engines will play a prominent role in future space exploration programs. Although hydrogen fuel provides for higher engine performance, hydrocarbon fuels are denser, safer to handle, and less costly. For hydrocarbon-fueled engines using RP-1 or CH4 , the plume is different from a hydrogen fueled engine due to the presence of several other species, such as CO2, C2, CO, CH, CN, and NO, in the exhaust plume, in addition to the standard H2O and OH. These species occur as intermediate or final combustion products or as a result of mixing of the hot plume with the atmosphere. Exhaust plume emission spectroscopy has emerged as a comprehensive non-intrusive sensing technology which can be applied to a wide variety of engine performance conditions with a high degree of sensitivity and specificity. Stennis Space Center researchers have been in the forefront of advancing experimental techniques and developing theoretical approaches in order to bring this technology to a more mature stage.

Langford, Lester A.↗
NASA NTRS2006

Experiments on the Motion of Drops on a Horizontal Solid Surface due to a Wettability Gradient

Results from experiments performed on the motion of drops of tetraethylene glycol in a wettability gradient present on a silicon surface are reported and compared with predictions from a recently developed theoretical model. The gradient in wettability was formed by exposing strips cut from a silicon wafer to decyltrichlorosiland vapors. Video images of the drops captured during the experiments were subsequently analyzed for drop size and velocity as functions of position along the gradient. In separate experiments on the same strips, the static contact angle formed by small drops was measured and used to obtain the local wettability gradient to which a drop is subjected. The velocity of the drops was found to be a strong function of position along the gradient. A quasi-steady theoretical model that balances the local hydrodynamic resistance with the local driving force generally describes the observations; possible reasons for the remaining discrepancies are discussed. It is shown that a model in which the driving force is reduced to accomodate the hysteresis effect inferred from the data is able to remove most of the discrepancy between the observed and predicted velocities.

Moumen, Nadjoua↗
NASA NTRS2007

Theorizing Land Cover and Land Use Change: The Peasant Economy of Colonization in the Amazon Basin

This paper addresses deforestation processes in the Amazon basin. It deploys a methodology combining remote sensing and survey-based fieldwork to examine, with regression analysis, the impact household structure and economic circumstances on deforestation decisions made by colonist farmers in the forest frontiers of Brazil. Unlike most previous regression-based studies, the methodology implemented analyzes behavior at the level of the individual property. The regressions correct for endogenous relationships between key variables, and spatial autocorrelation, as necessary. Variables used in the analysis are specified, in part, by a theoretical development integrating the Chayanovian concept of the peasant household with spatial considerations stemming from von Thuenen. The results from the empirical model indicate that demographic characteristics of households, as well as market factors, affect deforestation in the Amazon. Thus, statistical results from studies that do not include household-scale information may be subject to error. From a policy perspective, the results suggest that environmental policies in the Amazon based on market incentives to small farmers may not be as effective as hoped, given the importance of household factors in catalyzing the demand for land. The paper concludes by noting that household decisions regarding land use and deforestation are not independent of broader social circumstances, and that a full understanding of Amazonian deforestation will require insight into why poor families find it necessary to settle the frontier in the first place.

Caldas, Marcellus↗
NASA NTRS2007

JET Noise Prediction

Aerodynamic noise prediction has been an important and challenging research area since James Lighthill first introduced his Acoustic Analogy Approach over fifty years ago. This talk attempts to provide a unified framework for the subsequent theoretical developments in this field. It assumes that there is no single approach that is optimal in all situations and uses the framework as a basis for discussing the strengths weaknesses of the various approaches to this topic. But the emphasis here will be on the important problem of predicting the noise from high speed air jets. Specific results will presented for round jets in the 0.5 to 1.4 Mach number range and compared with experimental data taken on the Glenn SHAR rig. It is demonstrated that non-parallel mean flow effects play an important role in predicting the noise at the supersonic Mach numbers. The results explain the failure of previous attempts based on the parallel flow Lilley model (which has served as the foundation for most jet noise analyses during past two decades).

Goldstein, M. E.↗
NASA NTRS2008

The Aeroacoustics of Turbulent Flows

Aerodynamic noise prediction has been an important and challenging research area since James Lighthill first introduced his Acoustic Analogy Approach over fifty years ago. This talk attempts to provide a unified framework for the subsequent theoretical developments in this field. It assumes that there is no single approach that is optimal in all situations and uses the framework as a basis for discussing the strengths weaknesses of the various approaches to this topic. But the emphasis here will be on the important problem of predicting the noise from high speed air jets. Specific results will presented for round jets in the 0.5 to 1.4 Mach number range and compared with experimental data taken on the Glenn SHAR rig. It is demonstrated that nonparallel mean flow effects play an important role in predicting the noise at the supersonic Mach numbers. The results explain the failure of previous attempts based on the parallel flow Lilley model (which has served as the foundation for most jet noise analyses during past two decades).

Goldstein, M. E.↗
NASA NTRS2007

SIMBOL-X: A Formation Flying Mission on HEO for Exploring the Universe

SIMBOL-X is a high energy new generation telescope covering by a single instrument a continuous energy range starting at classical X-rays and extending to hard X-rays, i.e. from 0.5 to 80 keV. It is using in this field a focalizing payload which until now was used for energy below 10 keV only, via the construction of a telescope distributed on two satellites flying in formation. SIMBOL-X permits a gain of two orders of magnitude in sensibility and spatial resolution in comparison to state of the art hard X-rays instruments. The mirror satellite will be in free flight on a high elliptical orbit and will target the object to observe very precisely, thus focusing the hard X-ray emission thanks to this mirror module. At the focal point area which is situated 20 meters behind the mirror satellite, the detector satellite maintains its position on a forced orbit thanks to a radio link with the mirror satellite and a lateral displacement sensor using a beam emitted onboard the mirror satellite. This configuration is said "formation flying". The location of the detector satellite shall be very finely tuned as it carries the focal plane of this distributed telescope. To provide science measurements, the Simbol-X orbit has been chosen High elliptic (HEO), which means elliptical orbit with a high perigee altitude. Preliminary studies where made with an orbit with an altitude of the perigee of 44000km and altitude of the apogee of 253000km. The orbit was seven days ground track repeated in order to maintain a perigee pass over the Malindi ground station to download scientific telemetry. But as studies went on, difficulties in mass budget, link budget, perigee maintenance and formation flying maintenance were raised. This was mainly due to the vicinity of the Moon and its disturbing effect on the satellites orbits. Alternative orbits have been proposed in order to demonstrate the feasibility of the mission. The problematic of bringing the two satellites from their injection orbit to their operational orbit 20 m apart from each other and then maintain this configuration is very challenging. It requires theoretical development of the relative motion between two satellites in high eccentric orbit with large differential disturbance on the two bodies. This paper will present the mission analysis for the Simbol-X satellites with the complex problematic of doing formation flying in high elliptic orbit.

Gamet, Philippe↗
NASA NTRS2009

Particle Acceleration and Associated Emission from Relativistic Shocks

Five talks consist of a research program consisting of numerical simulations and theoretical development designed to provide an understanding of the emission from accelerated particles in relativistic shocks. The goal of this lecture is to discuss the particle acceleration, magnetic field generation, and radiation along with the microphysics of the shock process in a self-consistent manner. The discussion involves the collisionless shocks that produce emission from gamma-ray bursts and their afterglows, and producing emission from supernova remnants and AGN relativistic jets. Recent particle-in-cell simulation studies have shown that the Weibel (mixed mode two-stream filamentation) instability is responsible for particle (electron, positron, and ion) acceleration and magnetic field generation in relativistic collisionless shocks. 3-D RPIC code parallelized with MPI has been used to investigate the dynamics of collisionless shocks in electron-ion and electron-positron plasmas with and without initial ambient magnetic fields. In this lecture we will present brief tutorials of RPIC simulations and RMHD simulations, a brief summary of recent RPIC simulations, mechanisms of particle acceleration in relativistic shocks, and calculation of synchrotron radiation by tracing particles. We will discuss on emission from the collisionless shocks, which will be calculated during the simulation by tracing particle acceleration self-consistently in the inhomogeneous magnetic fields generated in the shocks. In particular, we will discuss the differences between standard synchrotron radiation and the jitter radiation that arises in turbulent magnetic fields.

Nishkawa, Ken-Ichi↗
NASA NTRS2011

Two-Point Turbulence Closure Applied to Variable Resolution Modeling

Variable resolution methods have become frontline CFD tools, but in order to take full advantage of this promising new technology, more formal theoretical development is desirable. Two general classes of variable resolution methods can be identified: hybrid or zonal methods in which RANS and LES models are solved in different flow regions, and bridging or seamless models which interpolate smoothly between RANS and LES. This paper considers the formulation of bridging methods using methods of two-point closure theory. The fundamental problem is to derive a subgrid two-equation model. We compare and reconcile two different approaches to this goal: the Partially Integrated Transport Model, and the Partially Averaged Navier-Stokes method.

Girimaji, Sharath S.↗
NASA NTRS2011

Application of Commercial Non-Dispersive Infrared Spectroscopy Sensors for Sub-Ambient Carbon Dioxide Detection

Monitoring carbon dioxide (CO2) concentration within a spacecraft or spacesuit is critically important to ensuring the safety of the crew. Carbon dioxide uniquely absorbs light at wavelengths of 3.95 micrometers and 4.26 micrometers. As a result, non-dispersive infrared (NDIR) spectroscopy can be employed as a reliable and inexpensive method for the quantification of CO2 within the atmosphere. A multitude of commercial-off-the-shelf (COTS) NDIR sensors exist for CO2 quantification. The COTS sensors provide reasonable accuracy so long as the measurements are attained under conditions close to the calibration conditions of the sensor (typically 21.1 C and 1 atm). However, as pressure deviates from atmospheric to the pressures associated with a spacecraft (8.0-10.2 PSIA) or spacesuit (4.1-8.0 PSIA), the error in the measurement grows increasingly large. In addition to pressure and temperature dependencies, the infrared transmissivity through a volume of gas also depends on the composition of the gas. As the composition is not known a priori, accurate sub-ambient detection must rely on iterative sensor compensation techniques. This manuscript describes the development of recursive compensation algorithms for sub-ambient detection of CO2 with COTS NDIR sensors. In addition, the basis of the exponential loss in accuracy is developed theoretically considering thermal, Doppler, and Lorentz broadening effects which arise as a result of the temperature, pressure, and composition of the gas mixture under analysis. As a result, this manuscript provides an approach to employing COTS sensors at sub-ambient conditions and may also lend insight into designing future NDIR sensors for aerospace application.

Swickrath, Michael J.↗