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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Study of ceramic products and processing techniques in space

An analysis of the solidification kinetics of beta alumina in a zero-gravity environment was carried out, using computer-simulation techniques, in order to assess the feasibility of producing high-quality single crystals of this material in space. The two coupled transport processes included were movement of the solid-liquid interface and diffusion of sodium atoms in the melt. Results of the simulation indicate that appreciable crystal-growth rates can be attained in space. Considerations were also made of the advantages offered by high-quality single crystals of beta alumina for use as a solid electrolyte; these clearly indicate that space-grown materials are superior in many respects to analogous terrestrially-grown crystals. Likewise, economic considerations, based on the rapidly expanding technological applications for beta alumina and related fast ionic conductors, reveal that the many superior qualities of space-grown material justify the added expense and experimental detail associated with space processing.

Markworth, A. J.↗
NASA NTRS1985

Small gas turbine combustor study: Fuel injector performance in a transpiration-cooled liner

The effect of fuel injection technique on the performance of an advanced reverse flow combustor liner constructed of Lamilloy (a multilaminate transpiration type material) was determined. Performance and emission levels are documented over a range of simulated flight conditions using simplex pressure atomizing, spill return, and splash cone airblast injectors. A parametric evaluation of the effect of increased combustor loading with each of the fuel injector types is obtained.

Riddlebaugh, S. M.↗
NASA NTRS1985

Small gas turbine combustor study - Fuel injector performance in a transpiration-cooled liner

The effect of fuel injection technique on the performance of an advanced reverse flow combustor liner constructed of Lamilloy (a multilaminate transpiration type material) was determined. Performance and emission levels are documented over a range of simulated flight conditions using simplex pressure atomizing, spill return, and splash cone airblast injectors. A parametric evaluation of the effect of increased combustor loading with each of the fuel injector types is obtained.

Riddlebaugh, S. M.↗
NASA NTRS1993

Atomic research

Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

Hadaway, James B.↗
NASA NTRS1994

Combined Contamination and Space Environmental Effects on Solar Cells and Thermal Control Surfaces

For spacecraft in low Earth orbit (LEO), contamination can occur from thruster fuel, sputter contamination products and from products of silicone degradation. This paper describes laboratory testing in which solar cell materials and thermal control surfaces were exposed to simulated spacecraft environmental effects including contamination, atomic oxygen, ultraviolet radiation and thermal cycling. The objective of these experiments was to determine how the interaction of the natural LEO environmental effects with contaminated spacecraft surfaces impacts the performance of these materials. Optical properties of samples were measured and solar cell performance data was obtained. In general, exposure to contamination by thruster fuel resulted in degradation of solar absorptance for fused silica and various thermal control surfaces and degradation of solar cell performance. Fused silica samples which were subsequently exposed to an atomic oxygen/vacuum ultraviolet radiation environment showed reversal of this degradation. These results imply that solar cells and thermal control surfaces which are susceptible to thruster fuel contamination and which also receive atomic oxygen exposure may not undergo significant performance degradation. Materials which were exposed to only vacuum ultraviolet radiation subsequent to contamination showed slight additional degradation in solar absorptance.

Dever, Joyce A.↗
NASA NTRS2003

Main Chamber Injectors for Advanced Hydrocarbon Booster Engines

Achieving the highest possible specific impulse has long been a key driver for space launch systems. Recently, more importance has been placed on the need for increased reliability and streamlined launch operations. These general factors along with more specific mission requirements have provided a new focus that is centered on the oxidizer rich staged combustion (ORSC) cycle. Despite a history of use in Russia that extends back to the 1960's, a proven design methodology for ORSC cycle engines does not exist in the West. This lack of design expertise extends to the main chamber injector, a critical subcomponent that largely determines the engine performance and main chamber life. The goals of the effort described here are to establish an empirical knowledge base to provide a fundamental understanding of main chamber injectors and for verification of an injector design methodology for the ORSC cycle. The design of a baseline injector element, derived from information on Russian engines in the open literature, is presented. The baseline injector comprises a gaseous oxidizer core flow and an annular swirling fuel flow. Sets of equations describing the steady-state and the dynamic characteristics of the injector are presented; these equations, which form the basis of the design analysis methodology, will be verified in tests later this year. On-going cold flow studies, using nitrogen and water as simulants, are described which indicate highly atomized and symmetric sprays.

Long, Matthew R.↗
NASA NTRS2005

Prediction of Mechanical Properties of Polymers With Various Force Fields

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

Odegard, Gregory M.↗
NASA NTRS2016

Investigating Global Ion and Neutral Atom Populations with IBEX and Voyager

The main objective of this project was to investigate pickup ion (PUI) production in the solar wind and heliosheath (the region between the termination shock and the heliopause) and compute the distributed energetic neutral atom fluxes throughout the helioshpere. The simulations were constrained by comparing the model output against observations from Ulysses, New Horizons, Voyager 1 and 2, and IBEX space probes. As evidenced by the number of peer reviewed journal publications resulting from the project (13 plus three submitted) and their citation rate (156 citations over three years), the project has made a lasting contribution to the field. The outcome is a significant improvement of our understanding of the pickup ion production and distribution in the distant heliosphere. The team has accomplished the entire set of tasks A-H set forth in the proposal. Namely, the transport modeling framework has been augmented with two populations of pickup ions (PUIs), the boundary conditions for the plasma and interstellar neutral hydrogen were verified against Ulysses and New Horizons PUI and an optimal set of velocity diffusion parameters established. The multi-component fluxes of PUIs were computed and isotropic velocity distributions generated for each cell in the computer simulation that covered the heliosphere from 1.5 AU to the heliopause. The distributions were carefully compared with in situ measurements at 3 AU (Ulysses), 12 AU (New Horizons), and 80-90 AU (Voyager 1 and 2) as well as those inferred from ENA fluxes measured by Cassini and IBEX (Wu et al., 2016). Some examples of modeldata comparison are shown in Figure 1. We have used coupled MHD-plasma and kinetic-neutral code to investigate the likely range of plasma and magnetic field parameters in the local interstellar medium (LISM), based on the assumption that the shape of the IBEX ribbon could be used to determine the orientation of the interstellar magnetic field. While the magnetic field is believed to be oriented toward the center of the ribbon, constraining its strength requires comparing the model-predicted angular diameter and circularity of the ribbon with the observations. The study, published in Heerikhuisen et al. (2014), found that the most likely range for the LISM magnetic field strength is between 0.2 and 0.3 nT, which is less than previously thought. Figure 2 shows the IBEX data (left) and compares it to the simulation with a 0.2 nT interstellar magnetic field (center) and a 0.4 nT (right).

Florinski, Vladimir↗
NASA NTRSDate not supplied

Characterization of Novel Spacecraft Materials Under High Energy Electron and Atomic Oxygen Exposure

The harsh space environment imposes stringent requirements upon spacecraft materials, especially those located on exterior surfaces of space objects in low Earth orbit (LEO). As humankind moves from space exploration to space commercialization, these polymers may have to last for 15–20 years without considerable degradation of their material properties. Hence, we must understand the effects of the space environment on materials currently in use as well as on untested materials. In the presented study authors exposed several space-relevant polymers to the simulated space weather comprised by electrons and atomic oxygen irradiation. First, materials were thoroughly characterized in their pristine state to create a baseline for the ground- and space-based experiments. Next, alteration of optical, surface, and charge transport properties of the same materials were studied under space-simulated environment.

Elena A. Plis↗
NASA NTRS2002

Test and Analysis Capabilities of the Space Environment Effects Team at Marshall Space Flight Center

Marshall Space Flight Center has developed world-class space environmental effects testing facilities to simulate the space environment. The combined environmental effects test system exposes temperature-controlled samples to simultaneous protons, high- and low-energy electrons, vacuum ultraviolet (VUV) radiation, and near-ultraviolet (NUV) radiation. Separate chambers for studying the effects of NUV and VUV at elevated temperatures are also available. The Atomic Oxygen Beam Facility exposes samples to atomic oxygen of 5 eV energy to simulate low-Earth orbit (LEO). The LEO space plasma simulators are used to study current collection to biased spacecraft surfaces, arcing from insulators and electrical conductivity of materials. Plasma propulsion techniques are analyzed using the Marshall magnetic mirror system. The micro light gas gun simulates micrometeoroid and space debris impacts. Candidate materials and hardware for spacecraft can be evaluated for durability in the space environment with a variety of analytical techniques. Mass, solar absorptance, infrared emittance, transmission, reflectance, bidirectional reflectance distribution function, and surface morphology characterization can be performed. The data from the space environmental effects testing facilities, combined with analytical results from flight experiments, enable the Environmental Effects Group to determine optimum materials for use on spacecraft.

Finckenor, M. M.↗
NASA NTRS1983

Computer simulation of surface and film processes

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed.

Tiller, W. A.↗
NASA NTRS1979

Hot-atom synthesis of organic compounds on Jupiter

Results of recent laboratory 'simulations' of photochemical processes on Jupiter are combined with available data on mixing rates and exposure times in the Jovian atmosphere to give quantitative predictions of the rate at which hot-atom reactions produce organic molecules. It is shown that abstraction reactions on methane by hot H atoms from solar UV photolysis of H2S will produce no more than 4 times 10 to the -17th power g/sq cm/sec for a steady-state mole fraction of total organics of approximately 10 to the -16th power. This is roughly 10 to the 7th power times less than the limit of detection of the most sensitive gas analysis experiments ever flown on a spacecraft. By far the most common organic molecule produced by this mechanism is CH3SH, methyl mercaptan, which is produced at a rate at least 600 times smaller than the rate of production of ethane by direct photolysis of CH4 at high altitudes.

Lewis, J. S.↗
NASA NTRS1993

Evaporation kinetics of Mg2SiO4 crystals and melts from molecular dynamics simulations

Computer simulations based on the molecular dynamics (MD) technique were used to study the mechanisms and kinetics of free evaporation from crystalline and molten forsterite (i.e., Mg2SiO4) on an atomic level. The interatomic potential employed for these simulations reproduces the energetics of bonding in forsterite and in gas-phase MgO and SiO2 reasonably accurately. Results of the simulation include predicted evaporation rates, diffusion rates, and reaction mechanisms for Mg2SiO4(s or l) yields 2Mg(g) + 20(g) + SiO2(g).

Kubicki, J. D.↗
NASA NTRS2016

Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

Jensen, Benjamin D.↗
NASA NTRS2006

Hybrid MD-Nernst Planck Model of Alpha-hemolysin Conductance Properties

Motivated by experiments in which an applied electric field translocates polynucleotides through an alpha-hemolysin protein channel causing ionic current transient blockade, a hybrid simulation model is proposed to predict the conductance properties of the open channel. Time scales corresponding to ion permeation processes are reached using the Poisson-Nemst-Planck (PNP) electro-diffusion model in which both solvent and local ion concentrations are represented as a continuum. The diffusion coefficients of the ions (K(+) and Cl(-)) input in the PNP model are, however, calculated from all-atom molecular dynamics (MD). In the MD simulations, a reduced representation of the channel is used. The channel is solvated in a 1 M KCI solution, and an external electric field is applied. The pore specific diffusion coefficients for both ionic species are reduced 5-7 times in comparison to bulk values. Significant statistical variations (17-45%) of the pore-ions diffusivities are observed. Within the statistics, the ionic diffusivities remain invariable for a range of external applied voltages between 30 and 240mV. In the 2D-PNP calculations, the pore stem is approximated by a smooth cylinder of radius approx. 9A with two constriction blocks where the radius is reduced to approx. 6A. The electrostatic potential includes the contribution from the atomistic charges. The MD-PNP model shows that the atomic charges are responsible for the rectifying behaviour and for the slight anion selectivity of the a-hemolysin pore. Independent of the hierarchy between the anion and cation diffusivities, the anionic contribution to the total ionic current will dominate. The predictions of the MD-PNP model are in good agreement with experimental data and give confidence in the present approach of bridging time scales by combining a microscopic and macroscopic model.

Cozmuta, Ioana↗
NASA NTRS2008

A New Concurrent Multiscale Methodology for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Yamakov, Vesselin↗
NASA NTRS2008

An Embedded Statistical Method for Coupling Molecular Dynamics and Finite Element Analyses

The coupling of molecular dynamics (MD) simulations with finite element methods (FEM) yields computationally efficient models that link fundamental material processes at the atomistic level with continuum field responses at higher length scales. The theoretical challenge involves developing a seamless connection along an interface between two inherently different simulation frameworks. Various specialized methods have been developed to solve particular classes of problems. Many of these methods link the kinematics of individual MD atoms with FEM nodes at their common interface, necessarily requiring that the finite element mesh be refined to atomic resolution. Some of these coupling approaches also require simulations to be carried out at 0 K and restrict modeling to two-dimensional material domains due to difficulties in simulating full three-dimensional material processes. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the standard boundary value problem used to define a coupled domain. The method replaces a direct linkage of individual MD atoms and finite element (FE) nodes with a statistical averaging of atomistic displacements in local atomic volumes associated with each FE node in an interface region. The FEM and MD computational systems are effectively independent and communicate only through an iterative update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM). ESCM provides an enhanced coupling methodology that is inherently applicable to three-dimensional domains, avoids discretization of the continuum model to atomic scale resolution, and permits finite temperature states to be applied.

Saether, E.↗