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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 19 records

Phenolic Polymer Interactions with Water and Ethylene Glycol Solvents

Interactions between pre-cured phenolic polymer chains and a solvent have a significant impact on the structure and properties of the final post-cured phenolic resin. Developing an understanding of the nature of these interactions is important and will aid in the selection of the proper solvent that will lead to the desired final product. Here, we investigate the role of the phenolic chain structure and the solvent type on the overall solvation performance of the system through ab initio techniques and molecular dynamics simulations. Two types of solvents are considered: ethylene glycol (EGL) and H2O. Three phenolic chain structures are considered, including two novolac-type chains with either an ortho-ortho (OON) or an ortho-para (OPN) backbone network and a resole-type (RES) chain with an ortho-ortho network. Each system is characterized through a structural analysis of the solvation shell and the hydrogen-bonding environment as well as through a quantification of the solvation free energy along with partitioned interaction energies between specific molecular species. The combination of simulations and the analyses indicate that EGL provides a higher solvation free energy than H2O due to more energetically favorable hydrophilic interactions as well as favorable hydrophobic interactions between CH element groups. In addition, the phenolic chain structure significantly affects the solvation performance, with OON having limited intermolecular hydrogen-bond formations, while OPN and RES interact more favorably with the solvent molecules. The results suggest that a resole-type phenolic chain with an ortho-para network should have the best solvation performance in EGL, H2O, and other similar solvents.

Haskins, Justin B.↗

Toward a Theory of Superdense Time in Simulation Models

In this work, we develop a theory of superdense time that encompasses existing uses of superdense time in discrete event simulations and points to new forms that have not previously been explored. A central feature of our development is a set of axioms for superdense time. Furthermore, the sufficiency of these axioms is demonstrated by using them to prove that a general model of a discrete event simulation procedure, expressed in terms of a mathematical system, constitutes a state transition function. Several forms of superdense time, both known and novel, are shown to satisfy the axioms.

97 MATHEMATICS AND COMPUTING↗

Experimental determination of transient strain in a thermally-cycled simulated turbine blade utilizing a non-contact technique

A type of noncontacting electro-optical extensometer was used to measure the displacement between parallel targets mounted on the leading edge of a simulated turbine blade throughout a complete heating and cooling cycle. The blade was cyclically heated and cooled by moving it into and out of a Mach 1 hot gas stream. The principle of operation and measurement procedure of the electro-optics extensometer are described.

Calfo, F. D.↗

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗

Reflection of a shock wave from a thermally accommodating wall - Molecular simulation.

Reflection of a plane shock wave from a wall has been simulated on a microscopic scale using a direct simulation Monte Carlo technique of the type developed by Bird. A monatomic gas model representing argon was used to describe the fluid medium and a simple one-parameter accommodation coefficient model was used to describe the gas-surface interaction. The influence of surface accommodation was studied parametrically by varying the accommodation coefficient from zero to one. Results are presented showing the temporal variations of flow field density, and mass, momentum, and energy fluxes to the wall during the shock wave reflection process. The energy flux was used to determine the wall temperature history. Comparisons with experiment are found to be satisfactory where data are available.

Deiwert, G. S.↗

Modeling software systems by domains

The Software Architectures Engineering (SAE) Project at the Software Engineering Institute (SEI) has developed engineering modeling techniques that both reduce the complexity of software for domain-specific computer systems and result in systems that are easier to build and maintain. These techniques allow maximum freedom for system developers to apply their domain expertise to software. We have applied these techniques to several types of applications, including training simulators operating in real time, engineering simulators operating in non-real time, and real-time embedded computer systems. Our modeling techniques result in software that mirrors both the complexity of the application and the domain knowledge requirements. We submit that the proper measure of software complexity reflects neither the number of software component units nor the code count, but the locus of and amount of domain knowledge. As a result of using these techniques, domain knowledge is isolated by fields of engineering expertise and removed from the concern of the software engineer. In this paper, we will describe kinds of domain expertise, describe engineering by domains, and provide relevant examples of software developed for simulator applications using the techniques.

Dippolito, Richard↗

A simulation system for Space Station extravehicular activity

A simulation program has been developed which addresses the human factors required to provide a crewmember with productive information during Space Station EVA. The operation of the voice recognition and control system and helmet-mounted projection display in the Space Station Extravehicular Mobility Unit (EMU) is reviewed. The features of the simulation program are discussed, including logic flow, information types, and the man-machine interface techniques used in the simulation program, voice recognizer, and helmet-mounted display.

Marmolejo, Jose A.↗

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

Paik, Sun M.↗

The Influence of Aqueous Dispersivity on Transport of Radiological Material at LANL MDA G - 20450

Aqueous dispersivity is a phenomenon by which a solute moving in groundwater mixes with water that does not contain the solute and becomes diluted. Solutes take paths of varying lengths through pore networks or experience slower velocities due to interactions with pore walls. Aqueous dispersivity leads to breakthrough curves with earlier arrival than expected in purely advective systems and persistent 'tails,' or late-arriving, dilute concentrations of the solute. Dispersivity can be longitudinal (in the direction of flow) or transverse (orthogonal to flow). LANL has disposed of radioactive material at Material Disposal Area (MDA) G since the late 1950's. Most of the disposed materials at MDA G are low-level waste (LLW), but other types of radioactive wastes are disposed or stored at the site. For example, there is a collection of remote-handled transuranic waste (RH-TRU) waste in 33 shafts, which were intended to be stored retrievably. Aqueous-phase radionuclides included in models of contaminant transport at MDA G are subject to dispersive processes in porous media of the vadose zone and saturated zone. To model dispersivity at MDA G probabilistically, we created site-specific distributions of aqueous dispersivity. First, we performed a comprehensive review of peer-reviewed publications, reports from other performance assessments of MDA G, and documentation from sites that were considered similar based on expert opinion, such as Yucca Mountain. Data were included from a wide range of sources, so that distributions developed based on the data reflect the current state of knowledge in properties of the subsurface environment. Data were grouped based on value type (e.g., determined via experiment or used in a different model), rock type, zone type (saturated or unsaturated), and site, and were weighted in the distributions according to their relevance to the site and zone type. We combined Monte Carlo simulation and bootstrapping techniques to produce approximate distributions of mean aqueous dispersivity. Distributions of dispersivity for saturated and unsaturated zone transport are differentiated by data weight and the length scales over which transport occurs. We find that underestimating or disregarding transverse dispersivity may lead to overstating simulated well capture in the saturated zone at MDA G. Neglecting transverse dispersivity is a common assumption due in part to use of one-dimensional transport models that do not consider solute spreading orthogonal to flow. Also, we find that variability in longitudinal dispersivity is associated with substantial travel time alterations in the MDA G unsaturated zone and in simulated contaminant breakthrough times at a downstream observation plane in the MDA G saturated zone. Finally, at large scales (>1000 m), a linear trend between the dispersivity coefficient and length over which transport occurs may overestimate the dispersivity coefficient. Future modeling work with application to solute spreading could include interacting advective and diffusive zones in the highly fractured basalt below MDA G. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Generic Inner-Loop Control Law Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

A generic control system framework for both real-time and batch six-degree-of-freedom (6-DOF) simulations is presented. This framework uses a simplified dynamic inversion technique to allow for stabilization and control of any type of aircraft at the pilot interface level. The simulation, designed primarily for the real-time simulation environment, also can be run in a batch mode through a simple guidance interface. Direct vehicle-state acceleration feedback is required with the simplified dynamic inversion technique. The estimation of surface effectiveness within real-time simulation timing constraints also is required. The generic framework provides easily modifiable control variables, allowing flexibility in the variables that the pilot commands. A direct control allocation scheme is used to command aircraft effectors. Primary uses for this system include conceptual and preliminary design of aircraft, when vehicle models are rapidly changing and knowledge of vehicle 6-DOF performance is required. A simulated airbreathing hypersonic vehicle and simulated high-performance fighter aircraft are used to demonstrate the flexibility and utility of the control system.

Cox, Timothy H.↗

A Generic Inner-Loop Control Law Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

A generic control system framework for both real-time and batch six-degree-of-freedom simulations is presented. This framework uses a simplified dynamic inversion technique to allow for stabilization and control of any type of aircraft at the pilot interface level. The simulation, designed primarily for the real-time simulation environment, also can be run in a batch mode through a simple guidance interface. Direct vehicle-state acceleration feedback is required with the simplified dynamic inversion technique. The estimation of surface effectiveness within real-time simulation timing constraints also is required. The generic framework provides easily modifiable control variables, allowing flexibility in the variables that the pilot commands. A direct control allocation scheme is used to command aircraft effectors. Primary uses for this system include conceptual and preliminary design of aircraft, when vehicle models are rapidly changing and knowledge of vehicle six-degree-of-freedom performance is required. A simulated airbreathing hypersonic vehicle and simulated high-performance fighter aircraft are used to demonstrate the flexibility and utility of the control system.

Cox, Timothy H.↗

Simulation verification techniques study: Simulation self test hardware design and techniques report

The final results are presented of the hardware verification task. The basic objectives of the various subtasks are reviewed along with the ground rules under which the overall task was conducted and which impacted the approach taken in deriving techniques for hardware self test. The results of the first subtask and the definition of simulation hardware are presented. The hardware definition is based primarily on a brief review of the simulator configurations anticipated for the shuttle training program. The results of the survey of current self test techniques are presented. The data sources that were considered in the search for current techniques are reviewed, and results of the survey are presented in terms of the specific types of tests that are of interest for training simulator applications. Specifically, these types of tests are readiness tests, fault isolation tests and incipient fault detection techniques. The most applicable techniques were structured into software flows that are then referenced in discussions of techniques for specific subsystems.

Source record↗

Optical measurement systems

Some of the areas of research conducted at Lewis on optical measurement techniques are described. Two laser anemometer systems developed at Lewis are used to illustrate the special instrumentation needs encountered in aeropropulsion research. Velocity measurements to be made through small viewing ports, close to surfaces within the propulsion system components, and in turbulent or highly-accelerating flows are some of the significant challenges. The application to research facilities of two advanced optical systems, the rainbow schlieren and the combustor viewing system, is presented. The calibration and verification of commercial optical measuring systems, such as droplet sizing systems, are also discussed. Calibration techniques capable of simulating moving droplets for flight-type sizing systems are being developed at Lewis. The presentation concludes with a brief look at the forces driving future research on optical instrumentation.

Lesco, Daniel J.↗

Effect of Single-Electron Interface Trapping in Decanano MOSFETs: A 3D Atomistic Simulation Study

We study the effect of trapping/detrapping of a single-electron in interface states in the channel of n-type MOSFETs with decanano dimensions using 3D atomistic simulation techniques. In order to highlight the basic dependencies, the simulations are carried out initially assuming continuous doping charge, and discrete localized charge only for the trapped electron. The dependence of the random telegraph signal (RTS) amplitudes on the device dimensions and on the position of the trapped charge in the channel are studied in detail. Later, in full-scale, atomistic simulations assuming discrete charge for both randomly placed dopants and the trapped electron, we highlight the importance of current percolation and of traps with strategic position where the trapped electron blocks a dominant current path.

Asenov, Asen↗

Re-Design and Beat Testing of the Man-Machine Integration Design and Analysis System: MIDAS

The Man-machine Design and Analysis System (MIDAS) is a human factors design and analysis system that combines human cognitive models with 3D CAD models and rapid prototyping and simulation techniques. MIDAS allows designers to ask 'what if' types of questions early in concept exploration and development prior to actual hardware development. The system outputs predictions of operator workload, situational awareness and system performance as well as graphical visualization of the cockpit designs interacting with models of the human in a mission scenario. Recently, MIDAS was re-designed to enhance functionality and usability. The goals driving the redesign include more efficient processing, GUI interface, advances in the memory structures, implementation of external vision models and audition. These changes were detailed in an earlier paper. Two Beta test sites with diverse applications have been chosen. One Beta test site is investigating the development of a new airframe and its interaction with the air traffic management system. The second Beta test effort will investigate 3D auditory cueing in conjunction with traditional visual cueing strategies including panel-mounted and heads-up displays. The progress and lessons learned on each of these projects will be discussed.

Shively, R. Jay↗

ISRU Soil Mechanics Vacuum Facility: Soil Bin Preparation and Simulant Strength Characterization

Testing in relevant environments is key to exploration mission hardware development. This is true on both the component level (in early development) and system level (in late development stages). During ISRU missions the hardware will interface with the soil (digging, roving, etc) in a vacuum environment. A relevant test environment will therefore involve a vacuum chamber with a controlled, conditioned simulant bed. However, in earth-based granular media, such as lunar soil simulant, gases trapped within the material pore structures and water adsorbed to all particle surfaces will release when exposed to vacuum. Early vacuum testing has shown that this gas release can occur violently, which loosens and weakens the simulant, altering the consolidation state. The Vacuum Facility #13, a mid-size chamber (3.66m tall, 1.5m inner diameter) at the NASA Glenn Research Center has been modified to create a soil mechanics test facility. A 0.64m deep by 0.914m square metric ton bed of lunar simulant was placed under vacuum using a variety of pumping techniques. Both GRC-3 and LHT-3M simulant types have been used. An electric cone penetrometer was used to measure simulant strength properties at vacuum including: cohesion, friction angle, bulk density and shear modulus. Simulant disruptions, caused by off gassing, affected the strength properties, but could be mitigated by reducing pump rate. No disruptions were observed at pressures below 2.5Torr, regardless of the pump rate. However, slow off gassing of the soil lead to long test times, a full week, to reach 10-5Torr. This work highlights the need for robotic machine-simulant hardware and operations in vacuum to expeditiously perform (sub-)systems tests.

Kleinhenz, Julie↗

Development and Testing of an ISRU Soil Mechanics Vacuum Test Facility

For extraterrestrial missions, earth based testing in relevant environments is key to successful hardware development. This is true for both early component level development and system level integration. For In-Situ Resource Utilization (ISRU) on the moon, hardware must interface with the surface material, or regolith, in a vacuum environment. A relevant test environment will therefore involve a vacuum chamber with a controlled, properly conditioned bed of lunar regolith simulant. However, in earth-based granular media, such as lunar regolith simulant, gases trapped within the material pore structures and water adsorbed to all particle surfaces will release when exposed to vacuum. Early vacuum testing has shown that this gas release can occur violently, which loosens and weakens the simulant, altering the consolidation state. A mid-size chamber (3.66 m tall, 1.5 m inner diameter) at the NASA Glenn Research Center has been modified to create a soil mechanics test facility. A 0.64 m deep by 0.914 m square metric ton bed of lunar simulant was placed under vacuum using a variety of pumping techniques. Both GRC-3 and LHT-3M simulant types were used. Data obtained from an electric cone penetrometer can be used to determine strength properties at vacuum including: cohesion, friction angle, bulk density and shear modulus. Simulant disruptions, caused by off-gassing, affected the strength properties, but could be mitigated by reducing pump rate. No disruptions were observed at pressures below 2.5 Torr, regardless of the pump rate. The slow off-gassing of the soil at low pressure lead to long test times; a full week to reach 10(exp -5) Torr. Robotic soil manipulation would enable multiple ISRU hardware test within the same vacuum cycle. The feasibility of a robotically controlled auger and tamper was explored at vacuum conditions.

lunar regolith↗

Generalised Primal-Dual Grids for Unstructured Co-Volume Schemes

The generation of high-quality staggered unstructured grids is considered, leading to the development of a new optimisation-based strategy designed to construct weighted 'Regular-Power' tessellations appropriate for co-volume type numerical discretisation techniques. This new framework aims to extend the conventional Delaunay-Voronoi primal-dual structure; seeking to assemble generalised orthogonal tessellations with enhanced geometric quality. The construction of these grids is motivated by the desire to improve the performance and accuracy of numerical methods based on unstructured co-volume type schemes, including various staggered grid techniques for the simulation of fluid dynamics and hyperbolic transport. In this study, a new hybrid optimisation strategy is proposed; seeking to optimise the geometry, topology and weights associated with general, two-dimensional Regular-Power tessellations using a combination of gradient-ascent and energy-based techniques. The performance of this new method is tested experimentally, with a range of complex, multi-resolution primal-dual grids generated for various coastal and regional ocean modelling applications.

power diagrams↗