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NASA NTRS1997

Computational Modeling as a Design Tool in Microelectronics Manufacturing

Plans to introduce pilot lines or fabs for 300 mm processing are in progress. The IC technology is simultaneously moving towards 0.25/0.18 micron. The convergence of these two trends places unprecedented stringent demands on processes and equipments. More than ever, computational modeling is called upon to play a complementary role in equipment and process design. The pace in hardware/process development needs a matching pace in software development: an aggressive move towards developing "virtual reactors" is desirable and essential to reduce design cycle and costs. This goal has three elements: reactor scale model, feature level model, and database of physical/chemical properties. With these elements coupled, the complete model should function as a design aid in a CAD environment. This talk would aim at the description of various elements. At the reactor level, continuum, DSMC(or particle) and hybrid models will be discussed and compared using examples of plasma and thermal process simulations. In microtopography evolution, approaches such as level set methods compete with conventional geometric models. Regardless of the approach, the reliance on empricism is to be eliminated through coupling to reactor model and computational surface science. This coupling poses challenging issues of orders of magnitude variation in length and time scales. Finally, database development has fallen behind; current situation is rapidly aggravated by the ever newer chemistries emerging to meet process metrics. The virtual reactor would be a useless concept without an accompanying reliable database that consists of: thermal reaction pathways and rate constants, electron-molecule cross sections, thermochemical properties, transport properties, and finally, surface data on the interaction of radicals, atoms and ions with various surfaces. Large scale computational chemistry efforts are critical as experiments alone cannot meet database needs due to the difficulties associated with such controlled experiments and costs.

Meyyappan, Meyya↗

NASA NTRS1982

Computational modeling for the study of multispectral sensor systems and concepts

A computational model of the deterministic and stochastic processes involved in remote sensing is being developed as a tool for studying multispectral sensor systems and concepts. The goal is to improve the efficiency of sensor systems for routine worldwide monitoring of earth resources and the environment. Preliminary computational results are presented for simple models of the natural variability of atmospheric radiative transfer and surface reflectance. These results illustrate the dependence of classification accuracy on the selection of sensor spectral channels and data processing algorithms.

Huck, F. O.↗

NASA NTRS2001

Computer Model Used to Help Customize Medicine

Dr. Radhakrishnan, a researcher at the NASA Glenn Research Center, in collaboration with biomedical researchers at the Case Western Reserve University School of Medicine and Rainbow Babies and Children's Hospital, is developing computational models of human physiology that quantitate metabolism and its regulation, in both healthy and pathological states. These models can help predict the effects of stresses or interventions, such as drug therapies, and contribute to the development of customized medicine. Customized medical treatment protocols can give more comprehensive evaluations and lead to more specific and effective treatments for patients, reducing treatment time and cost. Commercial applications of this research may help the pharmaceutical industry identify therapeutic needs and predict drug-drug interactions. Researchers will be able to study human metabolic reactions to particular treatments while in different environments as well as establish more definite blood metabolite concentration ranges in normal and pathological states. These computational models may help NASA provide the background for developing strategies to monitor and safeguard the health of astronauts and civilians in space stations and colonies. They may also help to develop countermeasures that ameliorate the effects of both acute and chronic space exposure.

Stauber, Laurel J.↗

NASA NTRSDate not supplied

Computational Modeling Development of Solid-state Architecture Batteries for Enhanced Rechargeability and Safety for Electric Aircraft

All electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria. The performance metrics for eVTOL craft are at least 2 times greater than those of electric automobiles. Furthermore, safety is essential for operation of commercial electric aerovehicles. Preliminary systems level analysis has indicated that there are five key properties which must be optimized for successful implementation of battery systems. Those five key criteria are: safety, energy density, power, packaging design and scalability. Current state-of-the-art (SOA) lithium-ion batteries meet or exceed the requirements for electric aviation in the areas of power and scalability, yet are insufficient in the key performance criteria of energy, safety and packaging design. The SABERS concept proposes a battery that meets all five key performance criteria through development of a solid-state architecture battery utilizing high energy density and power density sulfur-selenium cathode with a lithium metal anode. The combination of sulfur and selenium offers a balanced energy-to-power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This cathode will be developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. A solid-state electrolyte will be used as a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. This solid-state lithium-sulfur-selenium cell will be designed into a serial stacking configuration to enable dense packaging of the battery cells. The serial stacking configuration is termed a bipolar stack, which has the advantages of reducing overall cell weight, reducing the amount of interfaced connections for the cell, and minimizing the cooling requirements for the cell. Lastly, optimization of battery components will occur through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a fully solid-state battery with operational temperatures from 0 °C to 150 °C which provides the required energy density, discharge rates, and inherent safety to meet the strict aerospace performance criteria. This presentation will show initial results that demonstrate the SABERS Team has developed a composite carbon-sulfur cathode which exceeds 1100 Wh/kg at a discharge rate of 0.4C, and 804 Wh/kg at a discharge rate of 1C. Additionally, this presentation will show the SABERS Team multiscale computational modeling approach and has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM is on the 1-10 µm scale and provides electromechanical and grain interactions for predictive design guidelines for the experimental team to follow.

Urban Air Mobility (UAM) Vehicles↗

NASA NTRS2005

Computational Modeling of Liquid and Gaseous Control Valves

In this paper computational modeling efforts undertaken at NASA Stennis Space Center in support of rocket engine component testing are discussed. Such analyses include structurally complex cryogenic liquid valves and gas valves operating at high pressures and flow rates. Basic modeling and initial successes are documented, and other issues that make valve modeling at SSC somewhat unique are also addressed. These include transient behavior, valve stall, and the determination of flow patterns in LOX valves. Hexahedral structured grids are used for valves that can be simplifies through the use of axisymmetric approximation. Hybrid unstructured methodology is used for structurally complex valves that have disparate length scales and complex flow paths that include strong swirl, local recirculation zones/secondary flow effects. Hexahedral (structured), unstructured, and hybrid meshes are compared for accuracy and computational efficiency. Accuracy is determined using verification and validation techniques.

Daines, Russell↗

NASA NTRS2000

Temperature Distribution Within a Defect-Free Silicon Carbide Diode Predicted by a Computational Model

Most solid-state electronic devices diodes, transistors, and integrated circuits are based on silicon. Although this material works well for many applications, its properties limit its ability to function under extreme high-temperature or high-power operating conditions. Silicon carbide (SiC), with its desirable physical properties, could someday replace silicon for these types of applications. A major roadblock to realizing this potential is the quality of SiC material that can currently be produced. Semiconductors require very uniform, high-quality material, and commercially available SiC tends to suffer from defects in the crystalline structure that have largely been eliminated in silicon. In some power circuits, these defects can focus energy into an extremely small area, leading to overheating that can damage the device. In an effort to better understand the way that these defects affect the electrical performance and reliability of an SiC device in a power circuit, the NASA Glenn Research Center at Lewis Field began an in-house three-dimensional computational modeling effort. The goal is to predict the temperature distributions within a SiC diode structure subjected to the various transient overvoltage breakdown stresses that occur in power management circuits. A commercial computational fluid dynamics computer program (FLUENT-Fluent, Inc., Lebanon, New Hampshire) was used to build a model of a defect-free SiC diode and generate a computational mesh. A typical breakdown power density was applied over 0.5 msec in a heated layer at the junction between the p-type SiC and n-type SiC, and the temperature distribution throughout the diode was then calculated. The peak temperature extracted from the computational model agreed well (within 6 percent) with previous first-order calculations of the maximum expected temperature at the end of the breakdown pulse. This level of agreement is excellent for a model of this type and indicates that three-dimensional computational modeling can provide useful predictions for this class of problem. The model is now being extended to include the effects of crystal defects. The model will provide unique insights into how high the temperature rises in the vicinity of the defects in a diode at various power densities and pulse durations. This information also will help researchers in understanding and designing SiC devices for safe and reliable operation in high-power circuits.

Kuczmarski, Maria A.↗

NASA NTRS1986

Preliminary development of a global 3-D magnetohydrodynamic computational model for solar wind-cometary and planetary interactions

This is the final summary report by Resource Management Associates, Inc., of the first year's work under Contract No. NASW-4011 to the National Aeronautics and Space Administration. The work under this initial phase of the contract relates to the preliminary development of a global, 3-D magnetohydrodynamic computational model to quantitatively describe the detailed continuum field and plasma interaction process of the solar wind with cometary and planetary bodies throughout the solar system. The work extends a highly-successful, observationally-verified computational model previously developed by the author, and is appropriate for the global determination of supersonic, super-Alfvenic solar wind flows past planetary obstacles. This report provides a concise description of the problems studied, a summary of all the important research results, and copies of the publications.

Stahara, S. S.↗

NASA NTRS1980

Computational models for the viscous/inviscid analysis of jet aircraft exhaust plumes

Computational models which analyze viscous/inviscid flow processes in jet aircraft exhaust plumes are discussed. These models are component parts of an NASA-LaRC method for the prediction of nozzle afterbody drag. Inviscid/shock processes are analyzed by the SCIPAC code which is a compact version of a generalized shock capturing, inviscid plume code (SCIPPY). The SCIPAC code analyzes underexpanded jet exhaust gas mixtures with a self-contained thermodynamic package for hydrocarbon exhaust products and air. A detailed and automated treatment of the embedded subsonic zones behind Mach discs is provided in this analysis. Mixing processes along the plume interface are analyzed by two upgraded versions of an overlaid, turbulent mixing code (BOAT) developed previously for calculating nearfield jet entrainment. The BOATAC program is a frozen chemistry version of BOAT containing the aircraft thermodynamic package as SCIPAC; BOATAB is an afterburning version with a self-contained aircraft (hydrocarbon/air) finite-rate chemistry package. The coupling of viscous and inviscid flow processes is achieved by an overlaid procedure with interactive effects accounted for by a displacement thickness type correction to the inviscid plume interface.

Dash, S. M.↗

NASA NTRS2023

Modeling and Simulation Credibility Assessments of Whole-Body Finite Element Computational Models for Use in NASA Extravehicular Activity Applications

Computational finite element (FE) models are used in suited astronaut injury risk assessments; however, these models’ verification, validation, and credibility (VV&C) procedures for simulating injuries in altered gravity environments are limited. Our study conducts VV&C assessments of THUMS and Elemance whole-body FE models for predicting suited astronaut injury biomechanics using eight credibility factors, as per NASA-STD-7009A. Credibility factor ordinal scores are assigned by reviewing existing documentation describing VV&C practices, and credibility sufficiency thresholds are assigned based on input from subject matter experts. Our results show the FE models are credible for suited astronaut injury investigation in specific ranges of kinematic and kinetic conditions correlating to highway and contact sports events. Nevertheless, these models are deficient when applied outside these ranges. Several credibility elevation strategies are prescribed to improve models’ credibility for the NASA-centric application domain.

Finite Element↗

NASA NTRS2023

Modeling and simulation credibility assessments of whole-body finite element computational models for use in NASA extravehicular activity applications

Finite Element↗

NASA NTRS1979

Computer modeling of events in the inner magnetosphere

The first effort at computer simulating the behavior of the inner magnetosphere during a substorm-type event on 19 September 1976 was completed. The computer model simulates many aspects of the behavior of the closed-field-line portion of the earth's magnetosphere, and the auroral and subauroral ionosphere. For these regions, the program self-consistently computes electric fields, electric currents, hot-plasma densities, plasma flow velocities and other parameters. Highlights of the results of our event simulation are presented. Predicted electric fields for several times during the event agree reasonably well with corresponding data from satellite S3-2. Detailed discussion is presented for a case of rapid subauroral flow that was observed on one S3-2 pass and is predicted by the computer runs. The computed global distribution of Birkeland current agrees reasonably well with the observations of Iijima and Potemra.

Harel, M.↗

NASA NTRS1995

Operation of the computer model for direct atomic oxygen exposure of Earth satellites

One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

Bourassa, R. J.↗

NASA NTRS1995

COLD-SAT Dynamic Model Computer Code

COLD-SAT Dynamic Model (CSDM) computer code implements six-degree-of-freedom, rigid-body mathematical model for simulation of spacecraft in orbit around Earth. Investigates flow dynamics and thermodynamics of subcritical cryogenic fluids in microgravity. Consists of three parts: translation model, rotation model, and slosh model. Written in FORTRAN 77.

Bollenbacher, G.↗

NASA NTRSDate not supplied

iROSA Computational Model Development and Integration for the International Space Station

The power generation capability of the International Space Station (ISS) is being augmented with the installation of new solar arrays. The new solar arrays, named iROSA (ISS Roll Out Solar Array), are installed in front of original main truss solar arrays and integrate into the existing structure and electrical power system of the ISS. However, iROSA represents significant changes in technology for solar arrays compared to the original solar arrays on the ISS main truss. Knowing the power capabilities of the augmented solar arrays is critical for near-term and long-term mission planning and utilization. This new iROSA installation thus requires updates to be made to the prior-day methods of calculating power generation capability for the ISS. New types of solar cells and array designs, both electrically and structurally, present challenges for concurrent computational modeling of both the original solar arrays and the newer iROSA. This presentation will detail the development and integration of the computational models to calculate the power for the augmented arrays on ISS and the evaluation of the model to ensure that it functions with and without iROSA and returns accurate predictions of power generation in nominal and off-nominal conditions.

International Space Station↗

NASA NTRS1983

Development of a computational model for predicting solar wind flows past nonmagnetic terrestrial planets

A computational model for the determination of the detailed plasma and magnetic field properties of the global interaction of the solar wind with nonmagnetic terrestrial planetary obstacles is described. The theoretical method is based on an established single fluid, steady, dissipationless, magnetohydrodynamic continuum model, and is appropriate for the calculation of supersonic, super-Alfvenic solar wind flow past terrestrial ionospheres.

Stahara, S. S.↗

NASA NTRS2014

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

nickel alloys↗

NASA NTRS2017

Computational Modeling of a Mechanized Benchtop Apparatus for Leading-Edge Slat Noise Treatment Device Prototypes

Airframe noise is a growing concern in the vicinity of airports because of population growth and gains in engine noise reduction that have rendered the airframe an equal contributor during the approach and landing phases of flight for many transport aircraft. The leading-edge-slat device of a typical high-lift system for transport aircraft is a prominent source of airframe noise. Two technologies have significant potential for slat noise reduction; the slat-cove filler (SCF) and the slat-gap filler (SGF). Previous work was done on a 2D section of a transport-aircraft wing to demonstrate the implementation feasibility of these concepts. Benchtop hardware was developed in that work for qualitative parametric study. The benchtop models were mechanized for quantitative measurements of performance. Computational models of the mechanized benchtop apparatus for the SCF were developed and the performance of the system for five different SCF assemblies is demonstrated.

Turner, Travis L.↗

NASA NTRS2005

Computational Model Tracking Primary Electrons, Secondary Electrons, and Ions in the Discharge Chamber of an Ion Engine

Computational modeling of the plasma located in the discharge chamber of an ion engine is an important activity so that the development and design of the next generation of ion engines may be enhanced. In this work a computational tool called XOOPIC is used to model the primary electrons, secondary electrons, and ions inside the discharge chamber. The details of this computational tool are discussed in this paper. Preliminary results from XOOPIC are presented. The results presented include particle number density distributions for the primary electrons, the secondary electrons, and the ions. In addition the total number of a particular particle in the discharge chamber as a function of time, electric potential maps and magnetic field maps are presented. A primary electron number density plot from PRIMA is given in this paper so that the results of XOOPIC can be compared to it. PRIMA is a computer code that the present investigators have used in much of their previous work that provides results that compare well to experimental results. PRIMA only models the primary electrons in the discharge chamber. Modeling ions and secondary electrons, as well as the primary electrons, will greatly increase our ability to predict different characteristics of the plasma discharge used in an ion engine.

Mahalingam, Sudhakar↗