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At least 721 records · Page 40

Theory-guided design of duplex-phase multi-principal-element alloys

Density-functional theory (DFT) is used to identify phase-equilibria in multi-principal-element and high-entropy alloys (MPEAs/HEAs), including duplex-phase and eutectic microstructures. Here, a combination of composition-dependent formation energy and electronic-structure-based ordering parameters were used to identify a transition from FCC to BCC favoring mixtures, and these predictions experimentally validated in the Al-Co-Cr-Cu-Fe-Ni system. A sharp crossover in lattice structure and dual-phase stability as a function of composition were predicted via DFT and validated experimentally. The impact of solidification kinetics and thermodynamic stability was explored experimentally using a range of techniques, from slow (castings) to rapid (laser remelting), which showed a decoupling of phase fraction from thermal history, i.e., phase fraction was found to be solidification rate-independent, enabling tuning of a multi-modal cell and grain size ranging from nanoscale through macroscale. Strength and ductility tradeoffs for select processing parameters were investigated via uniaxial tension and small-punch testing on specimens manufactured via powder-based additive manufacturing (directed-energy deposition). This work establishes a pathway for design and optimization of next-generation multiphase superalloys via tailoring of structural and chemical ordering in concentrated solid solutions.

36 MATERIALS SCIENCE↗

Continuum shock mixture models for Ni+Al multilayers: Inert mesoscale simulations

Mesoscale modeling of shock waves in Ni+Al multilayers poses significant challenges that are due, in part, to shock-induced chemical reactions. Current modeling approaches utilize reactive molecular dynamics (MD), but they are limited to resolving domains of only a few hundred nanometers. In contrast, actual multilayer superlattices can be tens of micrometers thick, and they exhibit non-ideal (i.e., wavy) interfaces. The second part of our research builds upon previous work developing physically based, thermodynamically complete equations of state for various Ni and Al intermetallic compositions. Here, we introduce a novel workflow for high-fidelity mesoscale simulations of Ni+Al multilayers using a continuum hydrocode. By increasing the simulation domain size beyond MD limitations (e.g., 2 × 6 μm 2 ) and incorporating explicit interfacial roughness, we investigate the shock response of Ni+Al multilayers at previously unexplored scales. Our experimental design encompasses nine multilayer geometries with varying roughness amplitudes and tilt angles (θ = 15°, 30°, and 45°), alongside 19 flyer impact velocities ranging from 0.3 to 3.0 km/s, resulting in a total of 171 high-fidelity simulations. The bulk shock state from inert 2D mesoscale simulations aligns with the law of mixtures, while temperature and pressure fluctuations strongly correlate with multilayer geometry types. A new metric dubbed the “hot spot probability integral” shows a greater dependence on a tilt angle than interfacial roughness.

Kittell, David E. [Sandia National Laboratories (S↗

Effects of break geometry and orientation on helium-air mixing in simulated reactor cavities of high temperature gas reactors

Here, this study experimentally examined the spatial and temporal variations in air and helium concentrations and temperature fields within simulated reactor cavities of a High Temperature Gas Reactor (HTGR) following helium discharge into an initially air-filled reactor cavity system. Detailed temperature maps were generated using a combination of fiber optics temperature sensor and multiple thermocouple probes within the simulated reactor cavities. The research scenario involved a hypothetical small pipe break in the Reactor Pressure Vessel, resulting in the release of high-temperature helium into the surrounding cavity. A scaled multi-compartment experimental facility, modeled after the General Atomics Modular High Temperature Gas Reactor (GA-MHTGR) design, was constructed for helium and air mixing experiments. Oxygen sensors and thermocouple probes were installed in all five cavities to measure the concentrations of oxygen (or helium) and the temperature distributions of the gas mixture. The experimental findings highlighted the significant impact of the injected helium jet velocity on the gas mixing process and demonstrated how the direction of the helium jet influences the air-helium temperature profiles within the cavities.

Air-ingress↗

Mitiq: A software package for error mitigation on noisy quantum computers

We introduce Mitiq, a Python package for error mitigation on noisy quantum computers. Error mitigation techniques can reduce the impact of noise on near-term quantum computers with minimal overhead in quantum resources by relying on a mixture of quantum sampling and classical post-processing techniques. Mitiq is an extensible toolkit of different error mitigation methods, including zero-noise extrapolation, probabilistic error cancellation, and Clifford data regression. The library is designed to be compatible with generic backends and interfaces with different quantum software frameworks. We describe Mitiq using code snippets to demonstrate usage and discuss features and contribution guidelines. We present several examples demonstrating error mitigation on IBM and Rigetti superconducting quantum processors as well as on noisy simulators.

97 MATHEMATICS AND COMPUTING↗

LOX/hydrocarbon rocket engine analytical design methodology development and validation. Volume 2: Appendices

This final report includes a discussion of the work accomplished during the period from Dec. 1988 through Nov. 1991. The objective of the program was to assemble existing performance and combustion stability models into a usable design methodology capable of designing and analyzing high-performance and stable LOX/hydrocarbon booster engines. The methodology was then used to design a validation engine. The capabilities and validity of the methodology were demonstrated using this engine in an extensive hot fire test program. The engine used LOX/RP-1 propellants and was tested over a range of mixture ratios, chamber pressures, and acoustic damping device configurations. This volume contains time domain and frequency domain stability plots which indicate the pressure perturbation amplitudes and frequencies from approximately 30 tests of a 50K thrust rocket engine using LOX/RP-1 propellants over a range of chamber pressures from 240 to 1750 psia with mixture ratios of from 1.2 to 7.5. The data is from test configurations which used both bitune and monotune acoustic cavities and from tests with no acoustic cavities. The engine had a length of 14 inches and a contraction ratio of 2.0 using a 7.68 inch diameter injector. The data was taken from both stable and unstable tests. All combustion instabilities were spontaneous in the first tangential mode. Although stability bombs were used and generated overpressures of approximately 20 percent, no tests were driven unstable by the bombs. The stability instrumentation included six high-frequency Kistler transducers in the combustion chamber, a high-frequency Kistler transducer in each propellant manifold, and tri-axial accelerometers. Performance data is presented, both characteristic velocity efficiencies and energy release efficiencies, for those tests of sufficient duration to record steady state values.

Niiya, Karen E.↗

Definition of two-phase flow behaviors for spacecraft design

Two-phase flow, thermal management systems are currently being considered as an alternative to conventional, single phase systems for future space missions because of their potential to reduce overall system mass, size, and pumping power requirements. Knowledge of flow regime transitions, heat transfer characteristics, and pressure drop correlations is necessary to design and develop two-phase systems. A boiling and condensing experiment was built in which R-12 was used as the working fluid. A two-phase pump was used to circulate a freon mixture and allow separate measurements of the vapor and liquid flow streams. The experimental package was flown five times aboard the NASA KC-135 aircraft which simulates zero-g conditions by its parabolic flight trajectory. Test conditions included stratified and annual flow regimes in 1-g which became bubbly, slug, or annular flow regimes on 0-g. A portion of this work is the analysis of adiabatic flow regimes. The superficial velocities of liquid and vapor have been obtained from the measured flow rates and are presented along with the observed flow regimes.

Reinarts, Thomas R.↗

Alternate Propulsion Subsystem Concepts Tripropellant Comparison Study

A study was conducted under MSFC contract NAS8-39210 to compare tripropellant and bipropellant engine configurations for the SSTO mission. The objective was to produce an 'apples-to-apples' comparison to isolate the effects of design implementation, designing company, year of design, or technologies included from the basic tripropellant/bipropellant comparison. Consequently, identical technologies were included (e.g., jet pumps) and the same design groundrules and practices were used. Engine power cycles were examined as were turbomachinery/preburner arrangements for each cycle. The bipropellant approach and two tripropellant approaches were separately optimized in terms of operating parameters: exit pressures, mixture ratios, thrust splits, etc. This briefing presents the results of the study including engine weights for both tripropellant and bipropellant engines; dry vehicle weight performance for a range of engine chamber pressures; discusses the basis for the results; examines vehicle performance due to engine cycles and the margin characteristics of various cycles; and identifies technologies with significant payoffs for this application.

Levack, Daniel↗

The THS Experiment: Simulating Titans Atmospheric Chemistry at Low Temperature (200K)

In Titan's atmosphere, composed mainly of N2 (95-98%) and CH4 (2-5%), a complex chemistry occurs at low temperature, and leads to the production of heavy organic molecules and subsequently solid aerosols. Here, we used the Titan Haze Simulation (THS) experiment, an experimental setup developed at the NASA Ames COSmIC simulation facility to study Titan's atmospheric chemistry at low temperature. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is cooled to Titan-like temperature ( approximately 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (approximately 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan, in order to monitor the evolution of the chemical growth. Both the gas- and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics. A recent mass spectrometry[1] study of the gas phase has demonstrated that the THS is a unique tool to probe the first and intermediate steps of Titan's atmospheric chemistry at Titan-like temperature. In particular, the mass spectra obtained in a N2-CH4-C2H2-C6H6 mixture are relevant for comparison to Cassini's CAPS-IBS instrument. The results of a complementary study of the solid phase are consistent with the chemical growth evolution observed in the gas phase. Grains and aggregates form in the gas phase and can be jet deposited on various substrates for ex situ analysis. Scanning Electron Microscopy images show that more complex mixtures produce larger aggregates. A mass spectrometry analysis of the solid phase has detected the presence of aminoacetonitrile, a precursor of glycine, in the THS aerosols. X-ray Absorption Near Edge Structure (XANES) measurements also show the presence of imine and nitrile functional groups, showing evidence of nitrogen chemistry. These complementary studies show the high potential of THS to better understand Titan's chemistry and the origin of aerosol formation.

Laboratory↗

Effect of Silica and Mixing Time on Microstructures of Porous Polymer Composite by Emulsion Templating

Porous polymer composite with tailored porosity is applied in the myriads of areas such as energy storage, oil/water absorption, bioengineering, and advanced areas of material science. The emulsion templating technology is one of the most popular methods for synthesizing porous polymer composite. It involves solidifying a two-phase mixture of porogen and polymer, then removing porogen to create pores within the continuous emulsion phase by polymerization or curing. The surfactant plays a pivotal role in accomplishing a stable emulsion, a key factor in designing the internal porous structure. This study highlights the effect of silica filler and mixing time on pore morphology, i.e., shape, size, and distribution. on polydimethylsiloxane (PDMS) porous structure utilizing the water-in-oil emulsion templating method. Span® 80 is used as a surfactant to reduce the surface tension between water, silica, and PDMS and simultaneously create a strong foaming effect. Different weight concentrations of silica (1-10 wt%) were chosen while keeping the internal phase, i.e., water (50 wt%) constant. The designed porous structures were further characterized through scanning electron microscopy (SEM). Porous composite specimens fabricated with higher silica content and mixing time consistently exhibit smaller pore sizes than specimens fabricated with lower mixing time and silica content. A breakthrough of pore morphology is seen at silica content higher than 5wt% at 1 min mixing, however, pore morphology drastically changes when mixing time increases from 1 min to 6 min. Variation of finer mixing time beyond 1 min shows stepwise changes in pore morphology from a large single-phase porous structure to a bi-modal porous structure which eventually become a smaller single-mode porous structure. Thus, the emulsion templating technique, in combination with different filler content and mixing time, will effectively aid in designing engineered porous polymer composite with varying stiffness and pore morphology.

Porous polymer, Emulsion templating, Surfactant, P↗

Surface Equilibration Mechanism Controls the Stability of a Model Codeposited Glass Mixture of Organic Semiconductors

While previous work has identified the conditions for preparing ultrastable single-component organic glasses by physical vapor deposition (PVD), little is known about the stability of codeposited mixtures. Here, we prepared binary PVD glasses of organic semiconductors, TPD (N,N'-Bis(3-methylphenyl)-N,N'-diphenylbenzidine) and m-MTDATA (4,4',4"-Tris[phenyl(m-tolyl)amino]triphenylamine), with a 50:50 mass concentration over a wide range of substrate temperatures (T sub ). The enthalpy and kinetic stability are evaluated with differential scanning calorimetry and spectroscopic ellipsometry. Binary organic semiconductor glasses with exceptional thermodynamic and kinetic stability comparable to the most stable single-component organic glasses are obtained when deposited at T sub = 0.78–0.90T g (where T g is the conventional glass transition temperature). When deposited at 0.94T g , the enthalpy of the m-MTDATA/TPD glass equals that expected for the equilibrium liquid at that temperature. Thus, the surface equilibration mechanism previously advanced for single-component PVD glasses is also applicable for these codeposited glasses. Furthermore, these results provide an avenue for designing high-performance organic electronic devices.

36 MATERIALS SCIENCE↗

Pyrotechnically Actuated Gas Generator Utilizing Aqueous Methanol

A gas-generating device was developed to supplement the ram-air inflation of a supersonic ballute. The device is designed to initially pressurize the ballute following deployment, exposing and orienting its ram-air inlets to free-stream air for complete inflation. The supplemental pressurization decreases the total inflation time, and increases the likelihood of a successful inflation. The device contains a reservoir filled with an aqueous mixture of methanol that, when released in to the interior of the ballute, rapidly vaporizes due to the low ambient pressure. Upon activation of the device, a pair of redundant ring mechanisms initiate pyrotechnic charges that pressurize and rupture the reservoir, resulting in ejection of the methanol in to the ballute. In addition to its role in inflation, the device serves as the structural connection to the ballute. Analytical models were developed for the inflation capability of the device, which were verified using vacuum chamber testing of developmental hardware. Static, deployment, and environmental testing demonstrated the functionality of the ring mechanism and reservoir under several temperature and pressure conditions. Finally, the device was successfully operated during the first Supersonic Flight Dynamics Test (SFDT) of NASA's Low Density Supersonic Decelerator (LDSD) project. The design architecture is scalable to accommodate different quantities of gas generation, can be adjusted to operate in a variety of temperature and atmospheric pressure regimes, and provides a robust device that may be installed with minimal risk to personnel or hardware.

IA↗

Turbojet-engine Starting and Acceleration

From considerations of safety and reliability in performance of gas-turbine aircraft, it is clear that engine starting and acceleration are of utmost importance. For this reason extensive efforts have been devoted to the investigation of the factors involved in the starting and acceleration of engines. In chapter III it is shown that certain basic combustion requirements must be met before ignition can occur; consequently, the design and operation of an engine must be tailored to provide these basic requirements in the combustion zone of the engine, particularly in the vicinity of the ignition source. It is pointed out in chapter III that ignition by electrical discharges is aided by high pressure, high temperature, low gas velocity and turbulence, gaseous fuel-air mixture, proper mixture strength, and-an optimum spark. duration. The simultaneous achievement of all these requirements in an actual turbojet-engine combustor is obviously impossible, yet any attempt to satisfy as many requirements as possible will result in lower ignition energies, lower-weight ignition systems, and greater reliability. These factors together with size and cost considerations determine the acceptability of the final ignition system. It is further shown in chapter III that the problem of wall quenching affects engine starting. For example, the dimensions of the volume to be burned must be larger than the quenching distance at the lowest pressure and the most adverse fuel-air ratio encountered. This fact affects the design of cross-fire tubes between adjacent combustion chambers in a tubular-combustor turbojet engine. Only two chambers in these engines contain spark plugs; therefore, the flame must propagate through small connecting tubes between the chambers. The quenching studies indicate that if the cross-fire tubes are too narrow the flame will not propagate from one chamber to another. In order to better understand the role of the basic factors in actual engine operation, many investigations have been conducted in single combustors from gas-turbine engines and in full-scale engines in altitude tanks and in flight. The purpose of the present chapter is to discuss the results of such studies and, where possible, to interpret these results qualitatively in terms of the basic requirements reported in chapter III. The discussion parallels the three phases of turbojet engine starting: (1) Ignition of the fuel-air mixture (2) Propagation of flame throughout the combustion zone (3) Acceleration of the engine to operating speed.

Mc Cafferty, R. J.↗

Design of a ram accelerator mass launch system

The ram accelerator mass launch system has been proposed to greatly reduce the costs of placing acceleration-insensitive payloads into low earth orbit. The ram accelerator is a chemically propelled, impulsive mass launch system capable of efficiently accelerating relatively large masses from velocities of 0.7 km/sec to 10 km/sec. The principles of propulsion are based on those of a conventional supersonic air-breathing ramjet; however the device operates in a somewhat different manner. The payload carrying vehicle resembles the center-body of the ramjet and accelerates through a stationary tube which acts as the outer cowling. The tube is filled with premixed gaseous fuel and oxidizer mixtures that burn in the vicinity of the vehicle's base, producing a thrust which accelerates the vehicle through the tube. This study examines the requirement for placing a 2000 kg vehicle into a 500 km circular orbit with a minimum amount of on-board rocket propellant for orbital maneuvers. The goal is to achieve a 50 pct payload mass fraction. The proposed design requirements have several self-imposed constraints that define the vehicle and tube configurations. Structural considerations on the vehicle and tube wall dictate an upper acceleration limit of 1000 g's and a tube inside diameter of 1.0 m. In-tube propulsive requirements and vehicle structural constraints result in a vehicle diameter of 0.76 m, a total length of 7.5 m and a nose-cone half angle of 7 degrees. An ablating nose-cone constructed from carbon-carbon composite serves as the thermal protection mechanism for atmospheric transit.

Aarnio, Michael↗

Minimum reflux calculation for multicomponent distillation in multi‐feed, multi‐product columns: Mathematical model

Abstract Multi‐feed, multi‐product distillation columns are ubiquitous in multicomponent distillation systems. The minimum reflux ratio of a distillation column is directly related to its energy consumption and capital cost. Thus, it is a key parameter for distillation systems design, operation, and comparison. In this series, we present the first accurate shortcut based algorithmic method to determine the minimum reflux condition for any general multi‐feed, multi‐product (MFMP) distillation column separating any ideal multicomponent mixture. The classic McCabe‐Thiele or Underwood method is a special case of this general approach. Compared with existing techniques, this method does not involve any rigorous tray‐by‐tray calculation, nor does it require guessing of key components. In this first part of the series, we present the mathematical model for a general MFMP column, derive constraints for feasible separation and minimum reflux condition, discuss their geometric interpretations, and present an illustrative example to demonstrate the effectiveness of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging Macrocyclic Chelators for Rare Earth Element Separations

The long-term objective of this project is to develop new, more energy-efficient and environmentally benign separations of the rare earth elements. The current approaches to separate the rare earth elements employ liquid-liquid extraction methods, using a biphasic mixture of aqueous and organic solvents containing different metal-binding agents. Although a significant amount of work has been carried out to develop new organic-phase extractants, significantly less has been executed for the design of aqueous complexants. Our approach to achieve better rare earth separations is to modify and optimize these aqueous complexants for achieving different rare earth-binding properties. Once synthesized, these new complexants were evaluated for more environmentally friendly and energy-efficient separations of the rare earth elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Description and orbit data of variable-conductance heat-pipe system for the communications technology satellite

A variable-conductance heat-pipe system (VCHPS) with methanol as the working fluid and a nitrogen and helium mixture as the control gas was used for the thermal control of a 200 W RF traveling wave tube of the Communication Technology Satellite. Three stainless steel heat pipes (one redundant) and an aluminum radiator were designed to transfer 196 watts for an evaporator temperature of 50 C. The system has operated for three years with no noticeable change in performance. On four occasions the heat pipes apparently deprimed. A short time after reducing the tube power, the heat pipes reprimed and the system continued to operate normally. The description, qualification testing, and orbit data of the VCHPS are presented.

Gedeon, L.↗

Observations of odd-half cyclotron harmonic emissions in a shell-Maxwellian laboratory plasma

During the last 14 years, the subject of odd-half electron cyclotron harmonic emission from plasma has been given considerable attention. It was apparently first reported to occur in a beam plasma machine. The existence of the emission in space has been well documented through observations made with satellites. Because wavelengths are difficult to observe in space, no wave number spectrum has ever been obtained for the half-odd harmonic emission. Such a spectrum together with a frequency spectrum might provide the basis for a successful modeling of the instability. The present investigation is concerned with the design of a laboratory experiment in which a plasma with an anisotropic velocity distribution is produced and measured. In addition, the dispersion relation is directly measured, and a noise analysis is conducted. The obtained plasma, a mixture of shell and Maxwellian distributions, is found to emit waves within the Bernstein wave branches. By correlation measurements, a mode is found which is essentially an absolute instability in a narrow frequency band.

Urrutia, J. M.↗

Electrophoretic purification of cells in space - Evaluation of results from STS-3

The procedure and results of Electrophoresis Equipment Verification Test, designed to examine electrophoretic behavior of animal cells is suspension more concentrated than possible on earth and flown on the Shuttle flight STS-3, were discussed. Ground-based laboratory values of electrophoretic mobilities of a mixture of human and rabbit aldehyde-fixed red blood cells (RBC) were compared with those recorded at 11 minute intervals on the Shuttle STS-3. RBC migration and separation observed through photographic records were not as expected. However, cell mobilities and migrating band profiles were consistent with the results of laboratory simulation experiments. It was concluded that zero G electrophoresis of very high concentrations (1 x 10 to the 9th) is possible and similar to electrophoresis of normal cell concentrations on earth.

Sarnoff, B. E.↗