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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Operation and evaluation of the terminal configured vehicle mission simulator in an automated terminal area metering and spacing ATC environment

The development of a mission simulator for use in the Terminal Configured Vehicle (TCV) program is outlined. The broad objectives of the TCV program are to evaluate new concepts in airborne systems and in operational flight procedures. These evaluations are directed toward improving terminal area capacity and efficiency, improving approach and landing capability in adverse weather, and reducing noise impact in the terminal area. A description is given of the design features and operating principles of the two major components of the TCV Mission Simulator: the TCV Aft Flight Deck Simulation and the Terminal Area Air Traffic Model Simulation, and their merger to form the TCV Mission Simulator. The first research study conducted in the Mission Simulator is presented along with some preliminary results.

Houck, J. A.↗
NASA NTRS1984

Laboratory demonstration of image reconstruction for coherent optical system of modular imaging collectors (COSMIC)

The first physical demonstration of the principle of image reconstruction using a set of images from a diffraction-blurred elongated aperture is reported. This is an optical validation of previous theoretical and numerical simulations of the COSMIC telescope array (coherent optical system of modular imaging collectors). The present experiment utilizes 17 diffraction blurred exposures of a laboratory light source, as imaged by a lens covered by a narrow-slit aperture; the aperture is rotated 10 degrees between each exposure. The images are recorded in digitized form by a CCD camera, Fourier transformed, numerically filtered, and added; the sum is then filtered and inverse Fourier transformed to form the final image. The image reconstruction process is found to be stable with respect to uncertainties in values of all physical parameters such as effective wavelength, rotation angle, pointing jitter, and aperture shape. Future experiments will explore the effects of low counting rates, autoguiding on the image, various aperture configurations, and separated optics.

Traub, W. A.↗
NASA NTRS2019

The Effects of High-Temperature Fractional Crystallization on Calcium Isotopic Composition

We report Ca isotope fractionation among a co-genetic suite of samples from the Mauritanian Guelb el Azib ultramafic-mafic-anorthosite complex (GAC), which represents the fractional crystallization sequence of an igneous magma chamber. We investigate how the composition of an evolving crystallizing liquid and the resultant mineralogy of co-crystallizing assemblages affects inter-phase Ca isotope fractionation. Because the GAC is an Archean metamorphosed complex, we first investigate the resistance of the Ca isotope signature to secondary hydrothermal alteration and to metamorphism. While we cannot conclude here that Ca isotopes are undisturbed at the mineral scale, we show that they are preserved at the bulk rock scale. This is adequate for our study where several samples are almost monomineralic at the bulk scale level. The δ(exp 44/40)Ca (relative to NIST standard SRM 915a) of GAC layers range from −1.53 to 1.61‰, with the earliest-formed ultramafic cumulate layer being isotopically heaviest and the later, more felsic layers being isotopically lighter. For the first time, we show that plagioclase is much more enriched in light Ca isotopes compared to olivine and (Ca-) pyroxene. Monte Carlo simulations suggest that Ca isotopes are fractionated among co-existing silicate minerals during fractional crystallization, possibly in relation with the residual liquid composition. In qualitative agreement with computational models based on first principles lattice dynamics, we observe that Ca isotope fractionation is mineralogically controlled and importantly, that the degree of fractionation can vary according to the CaO composition of the residual liquid. While previous studies have aimed to understand partial melting as a source of Ca isotope fractionation, our results suggest that fractional crystallization is also a source of Ca isotope variability among co-genetic samples.

Maria C. Valdes↗
NASA NTRS1973

Accurate, reliable prototype earth horizon sensor head

The design and performance is described of an accurate and reliable prototype earth sensor head (ARPESH). The ARPESH employs a detection logic 'locator' concept and horizon sensor mechanization which should lead to high accuracy horizon sensing that is minimally degraded by spatial or temporal variations in sensing attitude from a satellite in orbit around the earth at altitudes in the 500 km environ 1,2. An accuracy of horizon location to within 0.7 km has been predicted, independent of meteorological conditions. This corresponds to an error of 0.015 deg-at 500 km altitude. Laboratory evaluation of the sensor indicates that this accuracy is achieved. First, the basic operating principles of ARPESH are described; next, detailed design and construction data is presented and then performance of the sensor under laboratory conditions in which the sensor is installed in a simulator that permits it to scan over a blackbody source against background representing the earth space interface for various equivalent plant temperatures.

Schwarz, F.↗
NASA NTRS2021

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics↗
NASA NTRS2019

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA's exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA's Entry Systems Modeling (ESM) Project, which serves as the Agency's only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specific models for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures.

Barnhardt, Michael D.↗
NASA NTRS2009

Pulsed Plasma Accelerator Modeling

This report presents the main results of the modeling task of the PPA project. The objective of this task is to make major progress towards developing a new computational tool with new capabilities for simulating cylindrically symmetric 2.5 dimensional (2.5 D) PPA's. This tool may be used for designing, optimizing, and understanding the operation of PPA s and other pulsed power devices. The foundation for this task is the 2-D, cylindrically symmetric, magnetohydrodynamic (MHD) code PCAPPS (Princeton Code for Advanced Plasma Propulsion Simulation). PCAPPS was originally developed by Sankaran (2001, 2005) to model Lithium Lorentz Force Accelerators (LLFA's), which are electrode based devices, and are typically operated in continuous magnetic field to the model, and implementing a first principles, self-consistent algorithm to couple the plasma and power circuit that drives the plasma dynamics.

Goodman, M.↗
NASA NTRS2006

Principle Component Analysis of the Evolution of the Saharan Air Layer and Dust Transport: Comparisons between a Model Simulation and MODIS Retrievals

The onset and evolution of Saharan Air Layer (SAL) episodes during June-September 2002 are diagnosed by applying principal component analysis to the NCEP reanalysis temperature anomalies at 850 hPa, where the largest SAL-induced temperature anomalies are located. The first principal component (PC) represents the onset of SAL episodes, which are associated with large warm anomalies located at the west coast of Africa. The second PC represents two opposite phases of the evolution of the SAL. The positive phase of the second PC corresponds to the southwestward extension of the warm anomalies into the tropical-subtropical North Atlantic Ocean, and the negative phase corresponds to the northwestward extension into the subtropical to mid-latitude North Atlantic Ocean and the southwest Europe. A dust transport model (CARMA) and the MODIS retrievals are used to study the associated effects on dust distribution and deposition. The positive (negative) phase of the second PC corresponds to a strengthening (weakening) of the offshore flows in the lower troposphere around 10deg - 20degN, causing more (less) dust being transported along the tropical to subtropical North Atlantic Ocean. The variation of the offshore flow indicates that the subseasonal variation of African Easterly Jet is associated with the evolution of the SAL. Significant correlation is found between the second PC time series and the daily West African monsoon index, implying a dynamical linkage between West African monsoon and the evolution of the SAL and Saharan dust transport.

Wong, S.↗
NASA NTRS2016

Formaldehyde Column Density Measurements as a Suitable Pathway to Estimate Near-Surface Ozone Tendencies from Space

In support of future satellite missions that aim to address the current shortcomings in measuring air quality from space, NASA's Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) field campaign was designed to enable exploration of relationships between column measurements of trace species relevant to air quality at high spatial and temporal resolution. In the DISCOVER-AQ data set, a modest correlation (r2 = 0.45) between ozone (O3) and formaldehyde (CH2O) column densities was observed. Further analysis revealed regional variability in the O3-CH2O relationship, with Maryland having a strong relationship when data were viewed temporally and Houston having a strong relationship when data were viewed spatially. These differences in regional behavior are attributed to differences in volatile organic compound (VOC) emissions. In Maryland, biogenic VOCs were responsible for approx.28% of CH2O formation within the boundary layer column, causing CH2O to, in general, increase monotonically throughout the day. In Houston, persistent anthropogenic emissions dominated the local hydrocarbon environment, and no discernable diurnal trend in CH2O was observed. Box model simulations suggested that ambient CH2O mixing ratios have a weak diurnal trend (+/-20% throughout the day) due to photochemical effects, and that larger diurnal trends are associated with changes in hydrocarbon precursors. Finally, mathematical relationships were developed from first principles and were able to replicate the different behaviors seen in Maryland and Houston. While studies would be necessary to validate these results and determine the regional applicability of the O3-CH2O relationship, the results presented here provide compelling insight into the ability of future satellite missions to aid in monitoring near-surface air quality.

Surface Conditions from Column and Vertically Reso↗
NASA NTRS2000

NPSS on NASA's IPG: Using CORBA and Globus to Coordinate Multidisciplinary Aeroscience Applications

Within NASA's High Performance Computing and Communication (HPCC) program, the NASA Glenn Research Center is developing an environment for the analysis/design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. To this end, NPSS integrates multiple disciplines such as aerodynamics, structures, and heat transfer and supports "numerical zooming" between O-dimensional to 1-, 2-, and 3-dimensional component engine codes. In order to facilitate the timely and cost-effective capture of complex physical processes, NPSS uses object-oriented technologies such as C++ objects to encapsulate individual engine components and CORBA ORBs for object communication and deployment across heterogeneous computing platforms. Recently, the HPCC program has initiated a concept called the Information Power Grid (IPG), a virtual computing environment that integrates computers and other resources at different sites. IPG implements a range of Grid services such as resource discovery, scheduling, security, instrumentation, and data access, many of which are provided by the Globus toolkit. IPG facilities have the potential to benefit NPSS considerably. For example, NPSS should in principle be able to use Grid services to discover dynamically and then co-schedule the resources required for a particular engine simulation, rather than relying on manual placement of ORBs as at present. Grid services can also be used to initiate simulation components on parallel computers (MPPs) and to address inter-site security issues that currently hinder the coupling of components across multiple sites. These considerations led NASA Glenn and Globus project personnel to formulate a collaborative project designed to evaluate whether and how benefits such as those just listed can be achieved in practice. This project involves firstly development of the basic techniques required to achieve co-existence of commodity object technologies and Grid technologies; and secondly the evaluation of these techniques in the context of NPSS-oriented challenge problems. The work on basic techniques seeks to understand how "commodity" technologies (CORBA, DCOM, Excel, etc.) can be used in concert with specialized "Grid" technologies (for security, MPP scheduling, etc.). In principle, this coordinated use should be straightforward because of the Globus and IPG philosophy of providing low-level Grid mechanisms that can be used to implement a wide variety of application-level programming models. (Globus technologies have previously been used to implement Grid-enabled message-passing libraries, collaborative environments, and parameter study tools, among others.) Results obtained to date are encouraging: we have successfully demonstrated a CORBA to Globus resource manager gateway that allows the use of CORBA RPCs to control submission and execution of programs on workstations and MPPs; a gateway from the CORBA Trader service to the Grid information service; and a preliminary integration of CORBA and Grid security mechanisms. The two challenge problems that we consider are the following: 1) Desktop-controlled parameter study. Here, an Excel spreadsheet is used to define and control a CFD parameter study, via a CORBA interface to a high throughput broker that runs individual cases on different IPG resources. 2) Aviation safety. Here, about 100 near real time jobs running NPSS need to be submitted, run and data returned in near real time. Evaluation will address such issues as time to port, execution time, potential scalability of simulation, and reliability of resources. The full paper will present the following information: 1. A detailed analysis of the requirements that NPSS applications place on IPG. 2. A description of the techniques used to meet these requirements via the coordinated use of CORBA and Globus. 3. A description of results obtained to date in the first two challenge problems.

Lopez, Isaac↗
NASA NTRS2003

The Langley Stability and Transition Analysis Code (LASTRAC) : LST, Linear and Nonlinear PSE for 2-D, Axisymmetric, and Infinite Swept Wing Boundary Layers

During the past two decades, our understanding of laminar-turbulent transition flow physics has advanced significantly owing to, in a large part, the NASA program support such as the National Aerospace Plane (NASP), High-speed Civil Transport (HSCT), and Advanced Subsonic Technology (AST). Experimental, theoretical, as well as computational efforts on various issues such as receptivity and linear and nonlinear evolution of instability waves take part in broadening our knowledge base for this intricate flow phenomenon. Despite all these advances, transition prediction remains a nontrivial task for engineers due to the lack of a widely available, robust, and efficient prediction tool. The design and development of the LASTRAC code is aimed at providing one such engineering tool that is easy to use and yet capable of dealing with a broad range of transition related issues. LASTRAC was written from scratch based on the state-of-the-art numerical methods for stability analysis and modem software technologies. At low fidelity, it allows users to perform linear stability analysis and N-factor transition correlation for a broad range of flow regimes and configurations by using either the linear stability theory (LST) or linear parabolized stability equations (LPSE) method. At high fidelity, users may use nonlinear PSE to track finite-amplitude disturbances until the skin friction rise. Coupled with the built-in receptivity model that is currently under development, the nonlinear PSE method offers a synergistic approach to predict transition onset for a given disturbance environment based on first principles. This paper describes the governing equations, numerical methods, code development, and case studies for the current release of LASTRAC. Practical applications of LASTRAC are demonstrated for linear stability calculations, N-factor transition correlation, non-linear breakdown simulations, and controls of stationary crossflow instability in supersonic swept wing boundary layers.

Chang, Chau-Lyan↗
NASA NTRS2012

Performance Characterization and Simulation of Amine-Based Vacuum Swing Sorption Units for Spacesuit Carbon Dioxide and Humidity Control

Controlling carbon dioxide (CO2) and water (H2O) vapor concentrations in a space suit is critical to ensuring an astronauts safety, comfort, and capability to perform extra-vehicular activity (EVA) tasks. Historically, this has been accomplished using lithium hydroxide (LiOH) and metal oxide (MetOx) canisters. Lithium hydroxide is a consumable material that requires priming with water before it becomes effective at removing carbon dioxide. MetOx is regenerable through a power-intensive thermal cycle but is significantly heavier on a volume basis than LiOH. As an alternative, amine-based vacuum swing beds are under aggressive development for EVA applications. The vacuum swing units control atmospheric concentrations of both CO2 and H2O through fully-regenerative process. The current concept, referred to as the rapid cycle amine (RCA), has resulted in numerous laboratory prototypes. Performance of these prototypes have been assessed experimentally and documented in previous reports. To support developmental e orts, a first principles model has also been established for the vacuum swing sorption technology. For the first time in several decades, a major re-design of Portable Life Support System (PLSS) for the extra-vehicular mobility unit (EMU) is underway. NASA at Johnson Space Center built and tested an integrated PLSS test bed of all subsystems under a variety of simulated EVA conditions of which the RCA prototype played a significant role. The efforts documented herein summarize RCA test performance and simulation results for single and variable metabolic rate experiments in an integrated context. In addition, a variety of off-nominal tests were performed to assess the capability of the RCA to function under challenging circumstances. Tests included high water production experiments, degraded vacuum regeneration, and deliberate valve/power failure and recovery.

Swickrath, Michael J.↗
NASA NTRS2016

Simulation of an Electromechanical Spin Motor System of a Control Moment Gyroscope

A two-phase brushless DC motor (BDCM) with pulse-width modulated (PWM) voltage drive is simulated to control the flywheel speed of a control moment gyroscope (CMG). An overview of a double-gimballed control moment gyroscope (DGCMG) assembly is presented along with the CMG torque effects on the spacecraft. The operating principles of a two-phase brushless DC motor are presented and the system's electro-mechanical equations of motion are developed for the root-mean-square (RMS) currents and wheel speed. It is shown that the system is an extremely "stiff" set of first-order equations for which an implicit Euler integrator is required for a stable solution. An adaptive proportional voltage controller is presented which adjusts the PWM voltages depending on several control modes for speed, current, and torque. The simulation results illustrate the interaction between the electrical system and the load dynamics and how these influence the overall performance of the system. As will be shown, the CMG spin motor model can directly provide electrical power use and thermal power output to spacecraft subsystems for effective (average) calculations of CMG power consumption.

Inampudi, Ravi↗
NASA NTRS1995

Preliminary large-eddy simulations of flow around a NACA 4412 airfoil using unstructured grids

Large-eddy simulation (LES) has matured to the point where application to complex flows is desirable. The extension to higher Reynolds numbers leads to an impractical number of grid points with existing structured-grid methods. Furthermore, most real world flows are rather difficult to represent geometrically with structured grids. Unstructured-grid methods offer a release from both of these constraints. However, just as it took many years for structured-grid methods to be well understood and reliable tools for LES, unstructured-grid methods must be carefully studied before we can expect them to attain their full potential. In the past two years, important building blocks have been put into place making possible a careful study of LES on unstructured grids. The first building block was an efficient mesh generator which allowed the placement of points according to smooth variation of physical length scales. This variation of length scales is in all three directions independently, which allows a large reduction in points when compared to structured-grid methods, which can only vary length scales in one direction at a time. The second building block was the development of a dynamic model appropriate for unstructured grids. The principle obstacle was the development of an unstructured-grid filtering operator. In the past year, some of the new filters developed by Jansen have been implemented into a highly parallelized finite element code based on the Galerkin/least-squares finite element method. We have chosen the NACA 4412 airfoil at maximum lift as the first simulation for a variety of reasons. First, it is a problem of significant interest since it would be the first LES of an aircraft component. Second, this flow has been the subject of three experimental studies. The third reason for considering this flow is the variety of flow features which provide an important test of the dynamic model. Only the dynamic model can be expected to perform satisfactorily in this variety of situations: from the laminar regions where it must not modify the flow at all to the turbulent boundary layers and wake where it must represent a wide variety of subgrid-scale structures. The flow configuration we have chosen is that of Wadcock (1987) at Reynolds number based on chord Re(sub c) = u(sub infinity)c/v = 1.64 x 10(exp 6), Mach number M = 0.2, and 12 deg angle of attack.

Jansen, Kenneth↗
NASA NTRS2008

Simulink Model of the Ares I Upper Stage Main Propulsion System

A numerical model of the Ares I upper stage main propulsion system is formulated based on first principles. Equation's are written as non-linear ordinary differential equations. The GASP fortran code is used to compute thermophysical properties of the working fluids. Complicated algebraic constraints are numerically solved. The model is implemented in Simulink and provides a rudimentary simulation of the time history of important pressures and temperatures during re-pressurization, boost and upper stage firing. The model is validated against an existing reliable code, and typical results are shown.

Burchett, Bradley T.↗
NASA NTRS1990

Magnetic reconnection driven by current repulsion

The evolution of an equilibrium consisting of two magnetic islands with oppositely directed currents embedded in a strong magnetic field is investigated, using numerical simulation methods. The rapid development of an ideal magnetohydrodynamic instability is observed, which first rotates and then expels the islands. The growth rate is on the order of the inverse of the Alfven transit time and is much higher than that for magnetic island coalescence. In the nonlinear stage, resistivity becomes important as the reconnection process ensues and dissipates the magnetic energy. The growth rate of the instability is a weak function of the plasma beta and other plasma parameters such as S, the magnetic Reynolds number. An energy principle analysis, based on eigenfunctions obtained from the simulation, confirms the existence of the instability.

Richard, R. L.↗
NASA NTRS1988

Simulation studies for surfaces and materials strength

During this six month period of the Simulation Studies for Surfaces and Materials Strength program investigations were carried out in two general areas: (1) Energy barriers and structural transitions between isomers of small Al clusters were investigated. In this study an empirical potential function which was parametrized based on accurate first principle results was employed; (2) A comparative study was conducted to investigate the applicability of most commonly employed model potential functions in calculating various bulk, surface and small cluster properties.

Halicioglu, Timur↗
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↗