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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 1,279 records · Page 71

A conservative, interface-resolved, compressible framework for the modeling and simulation of liquid/gas phase change

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. In conclusion, successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems.

97 MATHEMATICS AND COMPUTING↗

Study of Perylenetetracarboxylic Acid Dimethylimide Films by Cyclic Thermal Desorption and Scanning Probe Microscopy

Some results of studying the direct-current (DC) conductivity of perylenetetracarboxylic acid dimethylimide films by cyclic oxygen thermal desorption are presented. The microscopic parameters of hopping electron transport over localized impurity and intrinsic states were determined. The bandgap width and the sign of major current carriers were determined by scanning probe microscopy methods (atomic force microscopy, scanning probe spectroscopy, and photoassisted Kelvin probe force microscopy). The possibility of the application of photoassisted scanning tunneling microscopy for the nanoscale phase analysis of photoconductive films is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Superposed epoch analysis of pressure and magnetic field configuration changes in the plasma sheet

Using data from 41 substorm events in the near-Earth magnetotail, we have combined plasma, energetic ion, and magnetic field data from the AMPTE/IRM spacecraft to perform a superposed epoch analysis of changes in the total pressure and in the magnetic field configuration as a function of time relative to substorm onset. Unloading is evident in the total pressure profile; the pressure decreases by about 20 percent. Pressure changes during the growth phase are not as uniform for the different substorms as the pressure changes during the expansion phase. To study changes in the magnetic field configuration, we have determined the development of the plasma pressure profiles in z for an average of data from 15 to 19 R(E). At substorm onset, the field line dipolarization begins on the innermost field lines and then progresses to the outer field lines. The field lines map the closest to the Earth about 45 min after substorm onset, and then begin to stretch out again during the recovery phase of the substorm.

Kistler, L. M.↗

Probing the Transformation of Boron Nitride Catalysts under Oxidative Dehydrogenation Conditions

Hexagonal boron nitride (h-BN) and boron nitride nanotubes (BNNTs) were recently reported as highly selective catalysts for the oxidative dehydrogenation (ODH) of alkanes to olefins in the gas phase. Previous studies revealed a substantial increase in surface oxygen content after exposure to ODH conditions (heating to ca. 500 °C under a flow of alkane and oxygen); however, the complexity of these materials has thus far precluded an in-depth understanding of the oxygenated surface species. In this contribution, we combine advanced NMR spectroscopy experiments with scanning electron microscopy (SEM) and soft X-ray absorption spectroscopy (XAS) to characterize the molecular structure of the oxygen functionalized phase that arises on h-BN and BNNTs following catalytic testing for ODH of propane. The pristine BN materials are readily oxidized and hydrolyzed under ODH reaction conditions to yield a phase consisting of three coordinate boron sites with variable numbers of hydroxyl and bridging oxide groups which is denoted B(OH) x O 3-x (where x = 0-3). Evidence for this robust oxide phase revises previous literature hypotheses of hydroxylated BN edges as the active component on h-BN.

03 NATURAL GAS↗

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further oxidized in aqueous phase.

ab initio molecular dynamics simulation↗

Nature of charge density wave in kagome metal ScV6Sn6

Abstract Recently, kagome lattice materials have emerged as a new model material platform for discovering and engineering novel quantum phases of matter. In this work, we elucidate the driving mechanism of the $$\sqrt{{{3}}}$$ 3 × $$\sqrt{{{3}}}$$ 3 charge order in a newly discovered kagome metal ScV 6 Sn 6 . Through multimodal investigations combining angle-resolved photoemission spectroscopy, phonon dispersion calculations, and phase diagram study, we identify the central role of unstable planar Sn and Sc phonon modes, while the electronic instability and van Hove singularities originating from the V kagome lattice have a marginal influence. Our results highlight that the $$\sqrt{{{3}}}$$ 3 × $$\sqrt{{{3}}}$$ 3 charge order in ScV 6 Sn 6 is fundamentally distinguished from the electronically driven 2 × 2 charge order in the canonical kagome system AV 3 Sb 5 , uncovering a new mechanism to induce symmetry-breaking phase transition in kagome lattice materials.

36 MATERIALS SCIENCE↗

Jet quenching in the glasma phase: Medium-induced radiation

Inspired by the recent considerations of parton momentum broadening in the glasma phase, we study the medium-induced soft gluon radiation of jet partons at early times in heavy-ion collisions. The glasma state is assumed to be comprised of independent color domains with homogenous longitudinal fields that vary event by event, and we further complete this model with an event-averaging procedure accounting for the finite correlation length. Using this description, we evaluate the rate of medium-induced radiation from an energetic parton at midrapidity in the glasma phase. We mainly focus on SU(2) color fields for simplicity, also referring to the U(1) case and comparing with the Baier, Dokshitzer, Mueller, Peigné, Schiff, and Zakharov rate to gain further insight. Our results show that there is an intricate interplay of the synchrotron-like radiation in a single color domain with the destructive interference between different color domains, after the medium averaging is performed. Thus, we find that the emission rate is sensitive to the matter structure, decreasing for a glasma state populated by smaller color domains—i.e., for a glasma with a larger characteristic saturation scale. Our approach can be applied to more realistic backgrounds, and it sets the stage for the modeling of jet evolution in the early stages of heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The flight telerobotic servicer Tinman concept: System design drivers and task analysis

A study was conducted to develop a preliminary definition of the Flight Telerobotic Servicer (FTS) that could be used to understand the operational concepts and scenarios for the FTS. Called the Tinman, this design concept was also used to begin the process of establishing resources and interfaces for the FTS on Space Station Freedom, the National Space Transportation System shuttle orbiter, and the Orbital Maneuvering vehicle. Starting with an analysis of the requirements and task capabilities as stated in the Phase B study requirements document, the study identified eight major design drivers for the FTS. Each of these design drivers and their impacts on the Tinman design concept are described. Next, the planning that is currently underway for providing resources for the FTS on Space Station Freedom is discussed, including up to 2000 W of peak power, up to four color video channels, and command and data rates up to 500 kbps between the telerobot and the control station. Finally, an example is presented to show how the Tinman design concept was used to analyze task scenarios and explore the operational capabilities of the FTS. A structured methodology using a standard terminology consistent with the NASA/National Bureau of Standards Standard Reference Model for Telerobot Control System Architecture (NASREM) was developed for this analysis.

Andary, J. F.↗

Electric Propulsion System Modeling for the Proposed Prometheus 1 Mission

The proposed Prometheus 1 spacecraft would utilize nuclear electric propulsion to propel the spacecraft to its ultimate destination where it would perform its primary mission. As part of the Prometheus 1 Phase A studies, system models were developed for each of the spacecraft subsystems that were integrated into one overarching system model. The Electric Propulsion System (EPS) model was developed using data from the Prometheus 1 electric propulsion technology development efforts. This EPS model was then used to provide both performance and mass information to the Prometheus 1 system model for total system trades. Development of the EPS model is described, detailing both the performance calculations as well as its evolution over the course of Phase A through three technical baselines. Model outputs are also presented, detailing the performance of the model and its direct relationship to the Prometheus 1 technology development efforts. These EP system model outputs are also analyzed chronologically showing the response of the model development to the four technical baselines during Prometheus 1 Phase A.

Fiehler, Douglas↗

Structure of sp{sup 2}-carbon fiber prepared by high-temperature thermomechanical treatment of polyacrylonitrile fiber: a Raman and X-ray diffraction study

Structural regularities of the transformation of PAN fibers into high-strength sp{sup 2}-carbon fiber by high-temperature thermomechanical treatment were established using Raman spectroscopy and X-ray diffraction. Radial heterogeneity of the fiber structure was revealed and quantitatively characterized by Raman micro-mapping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal Floating Vertical-Axis Wind Turbine Platform Identification Design and Cost Estimation

This report houses the deliverables provided by Stress Engineering Services on the floating platform design identification studies and the detailed final design iterations. The results were obtained under contract to and in partnership with Sandia to iterate between the platform design and the aero-hydro-elastic load simulations of the coupled vertical-axis wind turbine system. Through the analysis summarized in this report, a tension-leg platform with multiple columns was identified as the optimal platform when considering cost and performance. The detailed design and cost estimate of this platform architecture was produced in the final phase of study which is also described within this report.

17 WIND ENERGY↗

Conceptual Design of a Hypervelocity Asteroid Intercept Vehicle (HAIV) Flight Validation Mission

In this paper we present a detailed overview of the MDL study results and subsequent advances in the design of GNC algorithms for accurate terminal guidance during hypervelocity NEO intercept. The MDL study produced a conceptual con guration of the two-body HAIV and its subsystems; a mission scenario and trajectory design for a notional flight validation mission to a selected candidate target NEO; GNC results regarding the ability of the HAIV to reliably intercept small (50 m) NEOs at hypervelocity (typically greater than 10 km/s); candidate launch vehicle selection; a notional operations concept and cost estimate for the flight validation mission; and a list of topics to address during the remainder of our NIAC Phase II study.

Barbee, Brent W.↗

Spectroscopy of Exoplanet Atmospheres with the FINESSE Explorer

FINESSE (Fast INfrared Exoplanet Spectroscopic Survey Explorer) will provide uniquely detailed information on the growing number of newly discovered planets by characterizing their atmospheric composition and temperature structure. This NASA Explorer mission, selected for a competitive Phase A study, is unique in its breath and scope thanks to broad instantaneous spectroscopy from the optical to the mid-IR (0.7 - 5 micron), with a survey of exoplanets measured in a consistent, uniform way. For 200 transiting exoplanets ranging from Terrestrial to Jovians, FINESSE will measure the chemical composition and temperature structure of their atmospheres and trace changes over time with exoplanet longitude. The mission will do so by measuring the spectroscopic time series for a primary and secondary eclipse over the exoplanet orbital phase curve. With spectrophotometric precision being a key enabling aspect for combined light exoplanet characterization, FINESSE is designed to produce spectrophotometric precision of better than 100 parts-per-million per spectral channel without the need for decorrelation. The exceptional stability of FINESSE will even allow the mission to characterize non-transiting planets, potentially as part of FINESSE's Participating Scientist Program. In this paper, we discuss the flow down from the target availability to observations and scheduling to the analysis and calibration of the data and how it enables FINESSE to be the mission that will truly expand the new field of comparative exoplanetology.

chemical abundance↗

Space Station accommodation engineering for Life Sciences Research Facilities

Exploratory studies conducted by NASA Marshall Space Flight Center and several contractors in connection with defining the design requirements, parameters, and tradeoffs of the Life Sciences Research Facilities for nonhuman test subjects aboard the Space Station are reviewed. The major system discriminators which determine the size of the accommodation system are identified, along with a number of mission options. Moreover, characteristics of several vivarium concepts are summarized, focusing on the cost, size, variable-g capability, and the number of specimens accommodated. Finally, the objectives of the phase B studies of the Space Station Laboratory, which are planned for FY85, are described.

Hilchey, J.↗

Microscopic origin of Cooper pairing in the iron-based superconductor Ba 1-x K x Fe 2 As 2

Resolving the microscopic pairing mechanism and its experimental identification in unconventional superconductors is among the most vexing problems of contemporary condensed matter physics. We show that Raman spectroscopy provides an avenue towards this aim by probing the structure of the pairing interaction at play in an unconventional superconductor. As we study the spectra of the prototypical Fe-based superconductor Ba 1-x K x Fe 2 As 2 for 0.22 ≤ x ≤ 0.70 in all symmetry channels, Raman spectroscopy allows us to distill the leading s-wave state. In addition, the spectra collected in the B1g symmetry channel reveal the existence of two collective modes which are indicative of the presence of two competing, yet sub-dominant, pairing tendencies of d x 2 -y 2 symmetry type. A comprehensive functional Renormalization Group and random-phase approximation study on this compound confirms the presence of the two sub-leading channels, and consistently matches the experimental doping dependence of the related modes. In conclusion, the consistency between the experimental observations and the theoretical modeling suggests that spin fluctuations play a significant role in superconducting pairing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Studies of Fission Fragment Rocket Engine Propelled Spacecraft

The NASA Office of Chief Technologist has funded from FY11 through FY14 successive studies of the physics, design, and spacecraft integration of a Fission Fragment Rocket Engine (FFRE) that directly converts the momentum of fission fragments continuously into spacecraft momentum at a theoretical specific impulse above one million seconds. While others have promised future propulsion advances if only you have the patience, the FFRE requires no waiting, no advances in physics and no advances in manufacturing processes. Such an engine unequivocally can create a new era of space exploration that can change spacecraft operation. The NIAC (NASA Institute for Advanced Concepts) Program Phase 1 study of FY11 first investigated how the revolutionary FFRE technology could be integrated into an advanced spacecraft. The FFRE combines existent technologies of low density fissioning dust trapped electrostatically and high field strength superconducting magnets for beam management. By organizing the nuclear core material to permit sufficient mean free path for escape of the fission fragments and by collimating the beam, this study showed the FFRE could convert nuclear power to thrust directly and efficiently at a delivered specific impulse of 527,000 seconds. The FY13 study showed that, without increasing the reactor power, adding a neutral gas to the fission fragment beam significantly increased the FFRE thrust through in a manner analogous to a jet engine afterburner. This frictional interaction of gas and beam resulted in an engine that continuously produced 1000 pound force of thrust at a delivered impulse of 32,000 seconds, thereby reducing the currently studied DRM 5 round trip mission to Mars from 3 years to 260 days. By decreasing the gas addition, this same engine can be tailored for much lower thrust at much higher impulse to match missions to more distant destinations. These studies created host spacecraft concepts configured for manned round trip journeys. While the vehicles are very large, they are primarily made up of a habitat payload on one end, the engine on the opposite end and a connecting spine containing radiator acreage needed to reject the heat of this powerful, but inefficient engine. These studies concluded that the engine and spacecraft are within today's technology, could be built, tested, launched on several SLS launchers, integrated, checked out, maintained at an in-space LEO base, and operated for decades just as Caribbean cruise ships operate today. The nuclear issues were found to be far less daunting that [than for] current nuclear engines. The FFRE produces very small amounts of radioactive efflux compared to their impulse, easily contained in an evacuated "bore-hole" test site. The engine poses no launch risk since it is simply a structure containing no fissionable material. The nuclear fuel is carried to orbit in containers highly crash-proofed for launch accidents from which it, in a liquid medium, is injected into the FFRE. The radioactive exhaust, with a velocity above 300 kilometers per second rapidly leaves the solar system.

Werka, Robert O.↗

Behaviour of cadmium isotopes in sulfidic waters and sediments of the Black Sea: Implications for global cadmium cycling and the application of cadmium isotopes as a paleo-oceanographic proxy

The cadmium isotope system has found use as a tracer for biological productivity, redox and organic carbon burial in the oceans. There are, however, very few observational constraints on Cd isotopic behaviour in modern sulfidic marine conditions, limiting our understanding of the modern Cd cycle, and our ability to use Cd isotope measurements of ancient sedimentary deposits as a paleoceanographic proxy. Here we study the behaviour of dissolved Cd in the water column of the Black Sea and its incorporation into sediments on the basin floor. The isotopic composition of dissolved Cd in the upper ∼50 m of the Black Sea water column is controlled by a combination of biological uptake and regeneration along with mixing of river water and Mediterranean seawater. Cadmium declines to <2 % of its peak subsurface concentration within the zone of nitrate-reduction but above the sulfide chemocline. The isotopic composition of dissolved Cd below the sulfide chemocline evolves in a manner that is consistent with experimental Cd sulfide fractionation factors, providing field-based support for these earlier studies. In contrast, the stability of the dissolved Cd isotopic signature above the chemocline, despite a large reduction in dissolved Cd concentrations, is explained by diffusion towards the Cd-sulfide sink below the chemocline. Sediments accumulating in the deep Black Sea below the sulfide chemocline have isotopic compositions that are similar to dissolved Cd in its near-surface aqueous concentration maximum. Sediments accumulating at shallower depths have lighter isotopic compositions that are likely affected by non-sulfidic burial pathways mediated by macrofaunal mixing and diagenesis of shallow burial phases. Our study shows that the isotopic composition of bulk sediments accumulating under sulfidic conditions is similar to dissolved Cd in the upper water column, supporting its use as a paleo-chemical proxy for ancient seawater as long as basin-scale controls on open ocean seawater sources are considered. We show that Cd burial in the deep Black Sea, predominantly as CdS, accounts for ∼0.5–15 % of total annual Cd burial in the global ocean.

Biogeochemical cycles↗

Confinement-mediated phase behavior of hydrocarbon fluids: Insights from Monte Carlo simulations

The phase behavior of hydrocarbon fluids confined in porous media has been discussed to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the bubble/dew points and sorption isotherms of hydrocarbons confined in both natural and synthetic nanopores, the confinement effects in terms of the strength of fluid-pore interactions tuned by surface wettability and chemistry have received comparably less discussion. More significantly, the underlying physics of confinement-induced phenomena remain obfuscated. In this work, we studied the phase behavior and capillary condensation of n-hexane to understand the effects of confinement at the molecular level. To systematically investigate the pore effects, we constructed two types of wall confinements; one is a structureless virtual wall described by the Steele potential and the other one is an all-atom amorphous silica structure with surface modified by hydroxyl groups. Our numerical results demonstrated the importance of fluid-pore interaction, pore size, and pore morphology effects in mediating the pressure-volume-temperature (PVT) properties of hydrocarbons. The most remarkable finding of this work was that the saturation pressure predicted from the van der Waals-type adsorption isothermal loop could be elevated or suppressed relative to the bulk phase, as illustrated in the graphical abstract. As the surface energy (i.e., fluid-pore interaction) decreased, the isothermal vapor pressure increased, indicating a greater preference for the fluid to exist in the vapor state. Sufficient reduction of the fluid-pore interactions could even elevate the vapor pressure above that of the bulk fluid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗