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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 1,693 records · Page 94

Cooling rate dependence of charge density wave phases in 1 T -TaS 2 studied by scanning tunneling microscopy and x-ray diffraction

The role of dynamics in the charge density wave (CDW) phases of 1T-TaS 2 , especially in accessing metastable phases, is still under scrutiny. We investigated cooling rate dependence on low-temperature CDW phases in this material by scanning tunneling microscopy and x-ray diffraction. In the majority of cases, we found the typical low temperature commensurate CDW and identified no other differences between samples that were fast cooled vs slow cooled from room temperature. In rare cases (1/18 STM experiments and 1/30 XRD experiments), we found a multi-domain structure in the low temperature CDW. The domain structure and metallic behavior revealed by STM and STS measurements of this phase are in excellent agreement with the previously reported metallic mosaic CDW phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CFD Study of Turbo-Ramjet Interactions in Hypersonic Airbreathing Propulsion System

Advanced airbreathing propulsion systems used in Mach 4-6 mission scenarios, usually involve turbo-ramjet configurations. As the engines transition from turbojet to ramjet, there is an operational envelope where both engines operate simultaneously. In the first phase of our study, an over/under nozzle configuration was analyzed. The two plumes from the turbojet and ramjet interact at the end of a common 2-D cowl, where they both reach an approximate Mach 3.0 condition and then jointly expand to Mach 3.6 at the common nozzle exit plane. For the problem analyzed, the turbojet engine operates at a higher nozzle pressure ratio than the ramjet, causes the turbojet plume overpowers the ramjet plume, deflecting it approximately 12 degrees downward and in turn the turbojet plume is deflected 6 degrees upward. In the process, shocks were formed at the deflections and a shear layer formed at the confluence of the two jets. This particular case was experimentally tested and the data were used to compare with a computational fluid dynamics (CFD) study using the PARC2D code. The CFD results were in good agreement with both static pressure distributions on the cowl separator and on nozzle walls. The thrust coefficients were also in reasonable agreement. In addition, inviscid relationships were developed around the confluence point, where the two exhaust jets meet, and these results compared favorably with the CFD results. In the second phase of our study, a 3-D CFD solution was generated to compare with the 2-D solution. The major difference between the 2-D and 3-D solutions was the interaction of the shock waves, generated by the plume interactions, on the sidewall. When a shock wave interacts with a sidewall and sidewall boundary layer, it is called a glancing shock sidewall interaction. These interactions entrain boundary layer flow down the shockline into a vortical flow pattern. The 3-D plots show the streamlines being entrained down the shockline. The pressure of the flow also decreases slightly as the sidewall is approached. Other difference between the 2-D and 3-D solutions were a lowering of the nozzle thrust coefficient value from 0.9850 (2-D) to 0.9807 (3-D), where the experimental value was 0.9790. In the third phase of our study, a different turbo-ramjet configuration was analyzed. The confluence of a supersonic turbojet and a subsonic ramjet in the turbine based combined-cycle (TBCC) propulsion system was studied by a 2-D CFD code. In the analysis, Mach 1.4 primary turbojet was mixed with the subsonic ramjet secondary flow in an ejector mode operation. Reasonable agreements were obtained with the supplied I-D TBCC solutions. For low downstream backpressure, the Fabri choke condition (Break-Point condition) was observed in the secondary flow within mixing zone. For sufficient high downstream backpressure, the Fabri choke no longer exist, the ramjet flow was reduced and the ejector flow became backpressure dependent. Highly non-uniform flow at ejector exit were observed, indicated that for smooth downstream combustion, the mixing of the two streams probably required some physical devices.

Chang, Ing↗

Superfluid Helium Tanker (SFHT) study

The accomplishments and recommendations of the two-phase Superfluid Helium Tanker (SFHT) study are presented. During the first phase of the study, the emphasis was on defining a comprehensive set of user requirements, establishing SFHT interface parameters and design requirements, and selecting a fluid subsystem design concept. During the second phase, an overall system design concept was constructed based on appropriate analyses and more detailed definition of requirements. Modifications needed to extend the baseline for use with cryogens other than SFHT have been determined, and technology development needs related to the recommended design have been assessed.

Source record↗

Novel Theoretical Prediction of Structural Properties, Ferromagnetic Ordering, and Electronic Structure of Fe{sub 2}PbC MAX Phase

In this study, we have investigated the magnetic stability; ferromagnetic ordering; and structural, elastic, and electronic properties of Fe{sub 2}PbC compound. The calculations are performed by the use of full-potential linearized augmented plane wave method implemented in WIEN2k code. We have found that the ferromagnetic state of Fe{sub 2}PbC is more stable than non-magnetic state configuration at their equilibrium lattice parameters. The structural and elastic properties suggest that Fe{sub 2}PbC is an anisotropic material, which is stable in the hexagonal MAX phase. The electronic structures show that Fe{sub 2}PbC has metallic-covalent-ionic character. The ferromagnetic performance of Fe{sub 2}PbC is confirmed by the total magnetic moment of 4.15 μ{sub B}, where its main contribution is originated from Fe atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A study of characteristics of intercity transportation systems. Phase 1: Definition of transportation comparison methodology

The objectives of this study are: (1) to determine a unified methodological framework for the comparison of intercity passenger and freight transportation systems; (2) to review the attributes of existing and future transportation systems for the purpose of establishing measures of comparison. These objectives were made more specific to include: (1) development of a methodology for comparing long term transportation trends arising from implementation of various R&D programs; (2) definition of value functions and attribute weightings needed for further transportation goals.

English, J. M.↗

Passivation Threshold for the Oxidation of Liquid Silicon and Thermodynamic Non-equilibrium in the Gas Phase

The present study focuses on a specific step of the metallurgical path of purification to provide solar-grade silicon: the removal of boron through the injection of H{sub 2}O(g)-H{sub 2}(g)-Ar(g) (cold gas process). A progressive increase of the oxidant H{sub 2}O(g) concentration at injection increases the speed of the process until a silica layer appears at the surface of the liquid silicon to be purified. It then stops the purification. During the process, silica aerosols may form in the gas boundary layer. This modifies the flows of oxidants and the gas concentrations at the liquid silicon surface. Using a monodimensional model, this article shows that a hypothesis of thermodynamic equilibrium of silica aerosols with the gas phase in the boundary layer has to be dropped in order to explain the appearance of a silica passivating layer. The passivation threshold is defined as the limit concentration of the oxidant at the injection below which there is no silica on the liquid silicon surface and beyond which silica particles appear on the liquid silicon surface. Three experiments of estimation of the passivation threshold with the injection of water vapor are used to confirm an empirical criterion for the prediction of the appearance of the silica layer. Two other sets of experiments with the injection of Ar-O{sub 2} are also being studied where the kinetics of the formation of silica aerosols seems to be slower than when water vapor is used. An optimization of the speed of boron removal under the assumption of a maximal concentration of water vapor before the appearance of a passivating silica layer would require an increase of the liquid silicon surface temperature from the fusion temperature of silicon.

36 MATERIALS SCIENCE↗

Kinetic analyses for solid-state phase transition of metastable amorphous-AlO x (2.5 < x ≤ 3.0) nanostructures into crystalline alumina polymorphs

Solid-solid phase change materials (SS-PCMs) hold promise for energy storage/dissipation in batteries and energetic materials. Yet, phase change kinetics for SS-PCMs undergoing metastable to semi-stable/stable phase transformations remain relatively ill-studied because trapping metastable phases remain challenging. Recently, we demonstrated the kinetic entrapment and stabilization of a highly disordered and amorphous Al-oxide phase m-AlO x @C (x~2.5-3.0) via laser ablation synthesis in solution (LASiS). We report here, to our knowledge, the first chemical kinetics analysis for S-S phase transition of the m-AlO 3 @C nanocomposites (< 5–8 nm sizes) into semi-stable equilibrium alumina phases (θ/γ-Al 2 O 3 ) via disproportionation reaction, while releasing excess trapped gases. Our results indicate the atomic density of the AlO 3 structures to be ~5–10 times less than that of the final Al 2 O 3 phases, which led to the hypothesis of a volume shrinkage process during their phase transition. Temperature-dependent X-ray diffraction studies reveal the high-temperature phase transition for m-AlO 3 → θ/γ-Al 2 O 3 to follow contracting volume kinetics model, thereby validating our earlier hypothesis. Using the geometric volume contraction model, reaction kinetics analyses from Arrhenius plots reveal the activation energy barrier for the phase transition to be ~270±11 kJ/mol. This makes the activation energy barrier nearly identical to the oxidation of micron-sized Al particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental study on a novel three-phase absorption thermal battery with high energy density applied to buildings

Buildings contribute to 75% of total electricity consumption and 80% of peak electricity demand in the United States. A significant portion of building electricity consumption goes to space conditioning. Therefore, using thermal energy storage (TES) to decouple the building electricity consumption and the fluctuating space-conditioning load has significant potential to shift peak electricity demand and improve the stability of the grid. To provide effective TES within the spatial constraints in buildings, a three-phase absorption thermal battery (TATB) system with very high energy storage density was designed and studied. The TATB stores low-temperature heat in hydrate crystals of salts and supports space conditioning through absorption systems. In this study, a benchtop TATB using lithium chloride (LiCl) hydrate crystals as the storage material was tested under practical operating conditions for its energy storage density and discharge rate. We report the TATB successfully generated LiCl hydrate crystals during charging mode and then dissolved the crystals during discharging mode. A material-based energy storage density of 300 kWh/m 3 (specific energy of 903 kJ/kg) was achieved with a discharge rate of up to 1.3 kW thermal energy. The test results verified the high performance of the TATB and encouraged further development of this technology.

25 ENERGY STORAGE↗

Study of an Automatic System for Control of the Terminal Phase of Satellite Rendezvous

An analytical and simulation study has been conducted of an automatic system for control of the terminal phase of rendezvous between two space vehicles. The basic system employs switching and thrust orientation criteria based upon relative-motion parameters first to establish a collision course and then to reduce the range and range rate to zero, simultaneously. In addition, a technique has been devised by which the system effects control based upon the total amount of fuel available for this phase of the space mission. The onboard equipment assumed for the intercepting vehicle includes a special-purpose computer, an attitude-control system, a single main rocket engine with, multi-start capabilities, and sensors capable of measuring range, line-of sight angles, and the time derivatives of these quantities. Techniques are developed. for employing control with either modulated thrust or on-off thrust at a constant level. The results of an analog simulation study of the automatic control system in which a six-degree-of freedom vehicle is assumed are presented for various initial conditions at the beginning of the terminal phase. The results of the study indicate that the automatic system can effectively control the terminal phase of rendezvous over a wide range of initial conditions and control-system requirements and, in addition, can utilize the available fuel in a very efficient manner.

RENDEZVOUS↗

Study for identification of Beneficial Uses of Space (BUS) (phase 2). Volume 1: Executive summary

A study was conducted to analyze the benefits to the world which can be realized from space manufacturing processes. The study envisaged the use of the space shuttle and manned space stations for the purpose. For each proposed operation a data base and rationale were established for those processes or portions of processes which would be improved by performance in the orbital environment. The four experiments which were recommended for the initial investigation are identified. The procedures for conducting the weightless manufacturing processes are outline.

Source record↗

Nuclear electric propulsion mission engineering study development program and costs estimates, Phase 2 review

The results are presented of the second six-month performance period of the Nuclear Electric Propulsion Mission Engineering Study. A brief overview of the program, identifying the study objectives and approach, and a discussion of the program status and schedule are presented. The program results are reviewed and key conclusions to date are summarized. Planned effort for the remainder of the program is reviewed.

Source record↗

Thermodynamic characterization of synthetic lead-arsenate apatites with different halogen substitutions

Abstract Thermodynamic parameters have been measured for synthetic analogs of the mimetite-group minerals Pb5(AsO4)3X (X = OH, Cl, Br, I) belonging to the apatite supergroup. Phases precipitated from aqueous solutions under ambient conditions with well characterized structures and compositions were studied. For each phase, dissolution enthalpy was experimentally determined by oxide melt drop solution calorimetry in a molten solvent of sodium molybdate (3Na2O·4MoO3) at 976 K. The enthalpy of formation from the elements ΔHf,elo was calculated using thermochemical cycles and was −3030.6 ± 11.5, −3026.6 ± 15.8, −2967.6 ± 25.0, and −2993.1 ± 12.2 kJ/mol for Pb5.00(AsO4)3.00OH0.86(CO3)0.07, Pb5.00(AsO4)3.00Cl0.80(CO3)0.10, Pb5.00(AsO4)3.00Br0.80(CO3)0.10, and Pb5.00(AsO4)3.00I0.45OH0.35(CO3)0.10, respectively. These ΔHf,elo values exhibit typical trends for apatites: they increased (were less negative) with the increasing molar mass and ionic radius of X and decreased with the electronegativity and ionization energy of X. The compilation and comparison of data for Ca-, Pb-, P-, and As-apatites revealed correlations indicating that thermodynamic enthalpic stability is largely influenced by chemical factors (e.g., differences in electronegativities of the elements, ionization energy, or ionic characteristics of the bonds) and to a lesser extent by physical and geometric parameters in the crystal structure related to the mass and size of the X anion. Using the correlations, it was possible to estimate the value of hitherto unknown ΔHf,elo for Pb5(AsO4)3F, −3144.3 ± 66.5 kJ/mol. The observed relationships apply to the entire apatite supergroup and can be used to predict the values of ΔHf,elo for phases that have not been studied experimentally. The new data on environmentally significant phases will contribute to the modeling of mineral-water interactions, particularly for potential use in the remediation of soils and wastes contaminated with Pb and As and in the immobilization of radioactive waste containing I-129.

Geochemistry & Geophysics↗

A pictorial study of an invariant torus in phase space of four dimensions.

An investigation was conducted with the aid of a computer graphics device at Goddard Space Flight Center to study the behavior of the invariant manifolds of a particular fourth-order equation, as a parameter in the equation is varied over the interval from 0 to 1. The equation consists of two coupled Van der Pol equations. For a small parameter value, the manifold is an asymptotically stable torus, where the flow on the torus is simply a rotation. As the value of the parameter is increased, the only thing that changes is the nature of the flow on the torus, which itself persists throughout the parameter variation. It is shown that ultimately the four periodic cycles which appear play a more significant part in the phase profile of the system than does the torus itself.

Baxter, R.↗

A critical analysis of U-Pu-Zr phase transitions using calorimetric, microstructural, and phase equilibria data

Metallic fuels consisting primarily of uranium, plutonium, and zirconium (U-Pu-Zr) are a leading material candidate for fast-spectrum nuclear reactors. Early demonstration programs proved the principle of safe and efficient fast reactor operation, however there is still considerable uncertainty regarding the phase equilibria and microstructural evolution across the ternary composition space. Quantitative phase formation and identification measurements are scarce and often incomplete, with studies reporting either phase transition temperatures or phase identification data, but not both from the same specimens. In this study, we critically compared experimental and calculated phase transition data and correlated with the microstructure and phase characterization data of as-cast and annealed U-Pu-Zr alloys. Differential scanning calorimetry (DSC) was used to measure phase transitions in the subsolidus regions (723−948 K) of three ternary U-Pu-Zr alloys with similar plutonium concentrations but various U/Zr ratios. Due to sluggish kinetics and narrow ranges of phase stability, complex peaks required the use of a Frazier-Suzuki peak fitting algorithm to deconvolute and calculate transition peak temperatures and enthalpies. We also identified trends of phase transition behavior by critically comparing our DSC data with previous phase transition measurements as well as historical and calculated phase equilibrium diagrams. In conclusion, this provides a critical approach for benchmarking and assessing the quality of new U-Pu-Zr phase equilibria data prior to its incorporation into nuclear material databases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Rapid extraction of short-lived isotopes from a buffer gas cell for use in gas-phase chemistry experiments, Part II: On-line studies with short-lived accelerator-produced radionuclides

We report a novel combination of advanced gas-chromatography and detection systems coupled to a buffer-gas cell was characterized on-line to allow gas-phase chemical studies of accelerator-produced short-lived α -decaying mercury, francium, and astatine isotopes. These were produced in 40 Ar- and 48 Ca-induced nuclear fusion–evaporation reactions, subsequently isolated in the recoil separators MARS at Texas A&M University, USA, and TASCA at GSI Darmstadt, Germany, before being thermalized in a buffer-gas-stopping cell. From the latter, the nuclear reaction products were extracted into gas-phase chromatographic systems, suitable for registering α-decaying short-lived radionuclides, such as isotopes of superheavy elements. Efficiencies of 21(3)% for 204-209 Fr were reached for the extraction into the optimized miniCOMPACT gas-chromatography setup, indicating that this technique enables the identification of isotopes of volatile as well as non-volatile elements. These studies guide the path towards chemical investigations of superheavy elements beyond flerovium, which are out of reach with currently used setups.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study

The thermodynamic properties and phase stability of the Ba-Bi system are investigated computationally and experimentally in the present work. The enthalpies of formation and the finite temperature thermodynamic properties of seven compounds are predicted by first-principles calculations based on density functional theory (DFT), indicating five compounds (BaBi 3 , Ba 11 Bi 10 , Ba 4 Bi 3 , Ba 5 Bi 3 , and Ba 2 Bi) to be stable. Phase relations at 773 K and 858 K with composition x Ba = 0.90 are established by isothermal annealing and powder X-ray diffraction (XRD) to clarify the previously observed phase transition at 796 K. The extremely low chemical activity of Ba in liquid for a wide range of temperatures and compositions indicates very strong short-range ordering in the liquid phase which is modeled in the present work by introducing the Ba 4 Bi 3 and BaBi 3 associates in the liquid phase. Both thermodynamic and phase equilibrium data are then used to evaluate the model parameters in Gibbs energy functions of the five stable compounds and three solution phases of liquid, bcc, and rhombohedral phases by the CALPHAD (CALculation of PHAse Diagram) technique. Here the present work shows that the Ba-Bi system consists of three eutectic reactions, two peritectic reactions, one peritectoid reaction, and two congruent reactions, as well as that the concentrations of associates are very high in the liquid phase with very low concentration of atomic Ba, which provides the fundamental understanding as to why Bi can be used to remove Ba ions from molten salt solutions.

36 MATERIALS SCIENCE↗

Parametric study of optical transmission through plasmonic hole arrays modulated by the phase transition of vanadium dioxide

We have performed comprehensive electromagnetic simulations and preliminary experiments to explore the effects of geometrical and material parameters on the extraordinary optical transmission (EOT) through periodic arrays of subwavelength holes in a bilayer stack consisting of a gold or silver film atop a vanadium dioxide film (Au/Ag + VO 2 ), where the latter undergoes a semiconductor-to-metal phase transition. Using the finite-difference time-domain (FDTD) and finite-element methods (FEM), we vary iteratively the array periodicity, VO 2 film thickness and hole diameters, as well as the refractive index inside the VO 2 -layer holes and the VO 2 optical constants. For each variation, we compare the metallic-to-semiconducting ratios of the zero-order transmission ( T 00 ) peaks and find sharp maxima in these ratios within narrow parameter ranges. The maxima arise from Fabry-Perot and Fano-type resonances that minimize T 00 in the semiconducting phase of the perforated bilayers. At a fixed array period, the primary factors controlling the VO 2 -enabled EOT modulation are the VO 2 thickness, diameter of the VO 2 -layer holes, and absorption in the two VO 2 phases. Besides uncovering the origins of the higher metallic-phase T 00 , this study provides a protocol for optimizing the performance of the bilayer hole arrays for potential uses as dynamically tunable nano-optical devices.

Donev, Eugenii U. (ORCID:000000030555219X)↗