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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Strain-graded quantum dots with spectrally pure, stable and polarized emission

Structural deformation modifies the bandgap, exciton fine structure and phonon energy of semiconductors, providing an additional knob to control their optical properties. The impact can be exploited in colloidal semiconductor quantum dots (QDs), wherein structural stresses can be imposed in three dimensions while defect formation is suppressed by controlling surface growth kinetics. Yet, the control over the structural deformation of QDs free from optically active defects has not been reached. Here, we demonstrate strain-graded CdSe-ZnSe core-shell QDs with compositionally abrupt interface by the coherent pseudomorphic heteroepitaxy. Resulting QDs tolerate mutual elastic deformation of varying magnitudes at the interface with high structural fidelity, allowing for spectrally stable and pure emission of photons at accelerated rates with near unity luminescence efficiency. We capitalize on the asymmetric strain effect together with the quantum confinement effect to expand emission envelope of QDs spanning the entire visible region and exemplify their use in photonic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

How does your gyroid grow? A mesoatomic perspective on supramolecular, soft matter network crystals

We propose and describe a framework to understand the structure of supramolecular network crystals formed in soft matter in terms of mesoatomic building blocks, collective groupings of amphiphilic molecules that play a role analogous to atomic or molecular subunits of hard matter crystals. While the concept of mesoatoms is intuitive and widely invoked in crystalline arrangements of spherelike or cylinderlike (micellelike) domains, analogous notions of natural and physically meaningful building blocks of triply periodic network (TPN) crystals, like the double-gyroid or double-diamond structures are obscured by the complex, bicontinuous domain shapes and intercatenated topologies of the double networks. Focusing on the specific example of diblock copolymer melts, we propose generic rules for decomposing TPN crystals into a unique set of mesoatomic building blocks. Based on physically motivated principles, the combination of symmetries and topologies of these structures point to mesoatomic elements associated with the nodal connections, leading to mesoatomic volumes that are nonconvex and bound by smoothly curved faces, unlike the more familiar Voronoi polyhedral shapes associated with spherelike and cylinderlike mesoatoms. We analyze the shapes of these mesoatoms, their internal structure, and importantly, their local packing with neighbor mesoatomic units. Importantly, we hypothesize that mesoatoms are kinetically favored intermediate structures whose local shapes and packing template network crystal assembly on long time scales. We propose and study a minimal energetic model of mesoatom assembly for three different cubic double-network crystals, based on local shape packing, which predicts a detailed picture for kinetics of intercatenation and surface growth. Based on these analyses, we discuss several possible extensions and elaborations of the mesoatomic description of supramolecular soft matter network crystals, most notably the implications of mesoatomic malleability, a feature that distinguishes soft matter from hard matter crystals. We describe experimental observations of malleable mesoatomic units in the precursor sponge phase as well as in ordered cubic networks and suggest possibilities for observing mesoatoms in primordial, precrystalline states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Structural inversion asymmetry in epitaxial ultrathin films of Bi(111)/InSb(111)B

Bismuth (Bi) films hold potential for spintronic devices due to strong spin-orbit coupling. Understanding the growth, surface states, and interactions with the substrate is key to their functionalization. Large-area high-quality (111) Bi ultrathin films were grown on InSb (111)B substrates by molecular beam epitaxy (MBE). Strong film-substrate interactions epitaxially stabilize the (111) orientation and lead to nonequivalent interface potentials. Analysis of angle-resolved photoemission spectroscopy (ARPES) measurements, employed to characterize the evolution of the surface states with film thickness, indicate a crossing at the $\overline{M}$ point, suggesting a topologically trivial phase in the thin film. In conclusion, the results show the presence of interfacial bonds to the substrate breaks inversion symmetry, preventing the semimetal-to-semiconductor transition predicted for freestanding bismuth layers, highlighting the importance of controlled functionalization and surface passivation of two-dimensional materials.

Inbar, Hadass S. [Univ. of California, Santa Barba↗
NASA NTRS1983

Ionized cluster beam deposition

Ionized Cluster Beam (ICB) deposition, a new technique originated by Takagi of Kyoto University in Japan, offers a number of unique capabilities for thin film metallization as well as for deposition of active semiconductor materials. ICB allows average energy per deposited atom to be controlled and involves impact kinetics which result in high diffusion energies of atoms on the growth surface. To a greater degree than in other techniques, ICB involves quantitative process parameters which can be utilized to strongly control the characteristics of films being deposited. In the ICB deposition process, material to be deposited is vaporized into a vacuum chamber from a confinement crucible at high temperature. Crucible nozzle configuration and operating temperature are such that emerging vapor undergoes supercondensation following adiabatic expansion through the nozzle.

Kirkpatrick, A. R.↗
NASA NTRS1990

Kinetics and mechanism of soot formation in hydrocarbon combustion

The focus of this work was on kinetic modeling. The specific objectives were: detailed modeling of soot formation in premixed flames, elucidation of the effects of fuel structure on the pathway to soot, and the development of a numerical technique for accurate modeling of soot particle coagulation and surface growth. Those tasks were successfully completed and are briefly summarized.

Frenklach, Michael↗
NASA NTRS1994

ESTEC wiring test programme materials related properties

Electrical wires are considered as EEE parts and are covered within the ESA SCC specification series (ESA SCC 3901/XXX). This specification defines the principal properties of the wires including insulation/lay-up and electrical properties. Some additional space related materials requirements are also included, requirements such as outgassing and silver plating thickness. If a project has additional materials requirements over and above those covered by the relevant SCC specification, then additional testing is required. This is especially true for crewed spacecraft. The following topics are discussed in this context: additional requirements for manned spacecraft; flammability; arc tracking; thermal decomposition; microbial surface growth; and ageing.

Judd, M. D.↗
NASA NTRS1983

Analytic modeling of soot nucleation under fuel rich conditions

The objective of the present research is to construct a soot nucleation model according to a proposed chemical kinetic scheme to delineate quantitatively the nucleation mechanism in the soot formation process. Instead of following the traditional views which generally associate sooting with the homogeneous nucleation process in phase transformation or polymerization, we choose a chemical kinetic approach. In our proposed scheme the number of carbon atoms in the intermediate species between the fuel molecule and soot nuclei is continuously increased by radical additions. The number of hydrogen atoms in the intermediate species on the other hand is steadily decreased by radical dehydrogenation. When the number of carbon atoms in each of the intermediate molecules has exceeded a certain limit and the number of hydrogen atoms has fallen below a certain level, they may coagulate with one and another to form a larger molecule which is regarded as the initial soot nuclei in the present theory. Further coagulation and surface growth of the nuclei will lead to observable soot particles.

Yang, C. H.↗
NASA NTRS1996

Hypersonic Boundary-Layer Stability Experiments on a Flared-Cone Model at Angle of Attack in a Quiet Wind Tunnel

An experimental investigation of the effects of angle of attack on hypersonic boundary-layer stability on a flared-cone model was conducted in the low-disturbance Mach-6 Nozzle-Test Chamber Facility at NASA Langley Research Center. This unique facility provided a 'quiet' flow test environment which is well suited for stability experiments because the low levels of freestream 'noise' minimize artificial stimulation of flow-disturbance growth. Surface pressure and temperature measurements documented the adverse-pressure gradient and transition-onset location. Hot-wire anemometry diagnostics were applied to identify the instability mechanisms which lead to transition. In addition, the mean flow over the flared-cone geometry was modeled by laminar Navier-Stokes computations. Results show that the boundary layer becomes more stable on the windward ray and less stable on the leeward ray relative to the zero-degree angle-of-attack case. The second-mode instability dominates the transition process at a zero-degree angle of attack, however, on the windward ray at an angle of attack this mode was completely stabilized. The less-dominant first-mode instability was slightly destabilized on the windward ray. Non-linear mechanisms such as saturation and harmonic generation are identified from the flow-disturbance bispectra.

Doggett, Glen P.↗
NASA NTRS1999

Kinetics and Structure of Superagglomerates Produced by Silane and Acetylene

The evolution of smoke in a laminar diffusion flame involves several steps. The first step is particle inception/nucleation in the high-temperature fuel-rich region of the flame followed by surface growth and coagulation/coalescence of the small particles. As the primary spheres grow in size and lose hydrogen, the colliding particles no longer coalesce but retain their identity as a cluster of primary spheres, termed an agglomerate. Finally, in the upper portion of the flame, the particles enter an oxidizing environment which may lead to partial or complete burnout of the agglomerates. Currently there is no quantitative model for describing the growth of smoke agglomerates up to superagglomerates with an overall dimension of 10 microns and greater. Such particles are produced during the burning of acetylene and fuels containing benzene rings such as toluene and polystyrene. In the case of polystyrene, smoke agglomerates in excess of 1 mm have been observed "raining" out from large fires. Evidence of the formation of superagglomerates in a laminar acetylene/air diffusion flame has been recently reported. Acetylene was chosen as the fuel since the particulate loading in acetylene/air diffusion flames is very high. Photographs were obtained by Sorensen using a microsecond xenon lamp of the "stream" of soot just above the flame. For low flow rates of acetylene, only submicrometer soot clusters are produced and they give rise to the homogeneous appearance of the soot stream. When the flow rate is increased to 1.7 cu cm/s, soot clusters up to 10 microns are formed and they are responsible for the graininess and at a flow rate of 3.4 cu cm/s, a web of interconnected clusters as large as the width of the flame is seen. This interconnecting web of superagglomerates is described as a gel state by Sorensen et al (1998). This is the first observation of a gel for a gas phase system. It was observed that this gel state immediately breaks up into agglomerates due to buoyancy induced turbulence and gravitational sedimentation.

Mulholland, G. W.↗
NASA NTRS1998

Soot Formation in Laminar Premixed Methane/Oxygen Flames at Atmospheric Pressure

Flame structure and soot formation were studied within soot-containing laminar premixed mc1hane/oxygen flames at atmospheric pressure. The following measurements were made: soot volume fractions by laser extinction, soot temperatures by multiline emission, gas temperatures (where soot was absent) by corrected fine-wire thermocouples, soot structure by thermophoretic sampling and transmission electron microscope (TEM), major gas species concentrations by sampling and gas chromatography, and gas velocities by laser velocimetry. Present measurements of gas species concentrations were in reasonably good agreement with earlier measurements due to Ramer et al. as well as predictions based on the detailed mechanisms of Frenklach and co-workers and Leung and Lindstedt: the predictions also suggest that H atom concentrations are in local thermodynamic equilibrium throughout the soot formation region. Using this information, it was found that measured soot surface growth rates could be correlated successfully by predictions based on the hydrogen-abstraction/carbon-addition (HACA) mechanisms of both Frenklach and co-workers and Colket and Hall, extending an earlier assessment of these mechanisms for premixed ethylene/air flames to conditions having larger H/C ratios and acetylene concentrations. Measured primary soot particle nucleation rates were somewhat lower than the earlier observations for laminar premixed ethylene/air flames and were significantly lower than corresponding rates in laminar diffusion flames. for reasons that still must be explained.

Xu, F.↗
NASA NTRS2001

Soot Formation in Laminar Premixed Methane/Oxygen Flames at Atmospheric Pressure

Flame structure and soot formation were studied within soot-containing laminar premixed methanefoxygen flames at atmospheric pressure. The following measurements were made: soot volume fractions by laser extinction, soot temperatures by multiline emission, gas temperatures (where soot was absent) by corrected fine-wire thermocouples, soot structure by thermophoretic sampling and transmission electron microscope (TEM), major gas species concentrations by sampling and gas chromatography, and gas velocities by laser velocimetry. Present measurements of gas species concentrations were in reasonably good agreement with earlier measurements due to Ramer et al. as well as predictions based on the detailed mechanisms of Frenklach and co-workers and Leung and Lindstedt; the predictions also suggest that H atom concentrations are in local thermodynamic equilibrium throughout the soot formation region. Using this information, it was found that measured soot surface growth rates could be correlated successfully by predictions based on the hydrogenabstraction/carbon-addition (HACA) mechanisms of both Frenklach and co-workers and Colket and Hall, extending an earlier assessment of these mechanisms for premixed ethylene/air flames to conditions having larger H/C ratios and acetylene concentrations. Measured primary soot particle nucleation rates were somewhat lower than the earlier observations for laminar premixed ethylene/air flames and were significantly lower than corresponding rates in laminar diffusion flames, for reasons that still must be explained.

Xu, F.↗
NASA NTRS2007

Simulation of a Periodic Jet in a Crossflow with a RANS Solver Using an Unstructured Grid

A second-order unstructured-grid code, developed and used primarily for steady aerodynamic simulations, is applied to the synthetic jet in a cross flow. The code, FUN3D, is a vertex-centered finite-volume method originally developed by Anderson[1, 2], and is currently supported by members of the Fast Adaptive Aerospace Tools team at NASA Langley. Used primarily for design[3] and analysis[4] of steady aerodynamic configurations, FUN3D incorporates a discrete adjoint capability, and supports parallel computations using MPI. A detailed description of the FUN3D code can be found in the references given above. The code is under continuous development and contains a variety of flux splitting algorithms for the inviscid terms, two methods for computing gradients, several turbulence models, and several solution methodologies; all in varying states of development. Only the most robust and reliable components, based on experiences with steady aerodynamic simulations, were employed in this work. As applied in this work, FUN3D solves the Reynolds averaged Navier-Stokes equations using the one equation turbulence model of Spalart and Allmaras[5]. The spatial discretization is formed on unstructured meshes using a vertex-centered approach. The inviscid terms are evaluated by a flux-difference splitting formulation using least-squares reconstruction and Roe-type approximate Riemann fluxes. Green-Gauss gradient evaluations are used for viscous and turbulence modeling terms. The discrete spatial operator is combined with a backward time operator which is then solved iteratively using point or line Gauss-Seidel and local time stepping in a pseudo time. For steady flows, the physical time step is set to infinity and the pseudo time step is ramped up with the iteration count. A second-order backward in time operator is used for time accurate flows with 20 to 50 steps in the pseudo time applied at each physical time step. For this effort, FUN3D was modified to support spatially varying boundary and initial conditions, and unsteady boundary conditions. Also, a specialized in/out flow boundary condition was implemented to model the action of the diaphragm. This boundary condition is described below in more detail. The grids were generated using the internally developed codes GridEX[6] for meshing the surfaces and inviscid regions of the domain, and for CAD access; and MesherX[7] for meshing the viscous regions. Grid spacing in on the surfaces and in the inviscid regions are indirectly controlled by specifying sources. The viscous layers are generated using an advancing layer technique. MeshersX allows the user to control the spatial variation of the first step off the surface, growth rates, and the termination criterion by providing small problem dependent subroutines.

Atkins, H. L.↗
NASA NTRS2009

Observations of Screw Dislocation Driven Growth and Faceting During CVD Homoepitaxy on 4H-SiC On-Axis Mesa Arrays

Previous studies of (0001) homoepitaxial growth carried out on arrays of small-area mesas etched into on-axis silicon-face 4H-SiC wafers have demonstrated that spiral growth emanating from at least one screw dislocation threading the mesa is necessary in order for a mesa to grow taller in the <0001> (c-axis vertical) direction while maintaining 4H stacking sequence [1]. However, even amongst mesas containing the screw dislocation step source necessary for vertical c-axis growth, we have observed striking differences in the height and faceting that evolve during prolonged homoepitaxial growths. This paper summarizes Atomic Force Microscopy (AFM), Electron Channeling Contrast Imaging (ECCI), Scanning Electron Microscopy (SEM), and optical microscopy observations of this phenomenon. These observations support our initially proposed model [2] that the observed large variation (for mesas where 3C-SiC nucleation has not occurred) is related to the lateral positioning of a screw dislocation step source within each etched mesa. When the screw dislocation step source is located close enough to the developing edge/sidewall facet of a mesa, the c-axis growth rate and facet angle are affected by the resulting interaction. In particular, the intersection (or near intersection) of the inward-sloping mesa sidewall facet with the screw dislocation appears to impede the rate at which the spiral provides new steps required for c-axis growth. Also, the inward slope of the sidewall facet during growth (relative to other sidewalls of the same mesa not near the screw dislocation) seems to be impeded by the screw dislocation. In contrast, mesas whose screw dislocations are centrally located grow vertically, but inward sloping sidewall facets shrink the area of the top (0001) growth surface almost to the point of vanishing.

Neudeck, Philip G.↗
NASA NTRS2004

Self-assembled InAsSb quantum dots on (001) InP substrates

Self-assembled InAsSb quantum dots (QD) on (001) InP substrates have been grown using metalorganic vapor phase epitaxy. The dot density and size are found to be strongly dependent on the presence of arsine. Direct deposition of InSb on InP and GaSb substrates formed large islands of InSb with low density of less than 53109/cm², however, InAsSb QDs of density as high as 4 X10¹º/cm² could be self-assembled by alternating group III and group V precursors, and high density almost pure InSb QDs were achieved on In0.53Ga0.47As/InP. The formation of high density InAsSb QDs is a result of a local nonequilibrium process and a reduction in mobility of In adatoms on the growth surface due to the presence of arsenic atoms, and in the case of high density almost pure InSb QDs on InGaAs/InP, the InAs interface layer is believed to be responsible. Photoluminescence shows that InSb QDs emit light at room temperature in the range of 1.7–2.2µm.

Uhl, David↗
DOE OSTI2024

Planarizing Spalled GaAs(100) Surfaces by MOVPE Growth

III-V photovoltaic devices have demonstrated exceptional performance across various applications, with controlled crystal fracturing, known as controlled spalling, emerging as a promising method to reduce costs by enabling substrate reuse. Spalling GaAs(100) substrates, a commonly used substrate in III-V photovoltaics, results in faceted ridges that must be planarized to grow high-quality photovoltaic devices. Here, in this study, we demonstrate that a GaAs(100) wafer offcut toward [$0\bar{11}$] and spalled toward [$011$] can be efficiently planarized by growing C:GaAs by metal-organic vapor phase epitaxy (MOVPE) on the surface, with up to 95% of the nominally deposited material used to fill the valleys between ridges. We find that reducing the offcut to 2° enhances the planarizing capability of C:GaAs. A surface morphology model indicates that the density of surface dangling bonds significantly influences the growth evolution of undoped GaAs surfaces. In contrast, the model suggests that the effectiveness of C:GaAs as a smoothing layer stems from modifying the atomic surface structure and, consequently, the associated sticking coefficients of the facets, which can alter the evolution of surface morphology. Our findings provide guidelines for the epitaxial planarization of semiconductor surfaces and improve the understanding of MOVPE growth on nonplanar surfaces.

14 SOLAR ENERGY↗
DOE OSTI2025

Nickel hydroxide–nickel carbonate competitive growth on carbonate surfaces

The thermodynamic and kinetic factors controlling the competitive heterogeneous nucleation and growth of ubiquitous metal carbonate and hydroxide phases are poorly understood. In this work, calcite (CaCO 3 ) and magnesite (MgCO 3 ) powders were reacted with NiCl 2 (0–600 μM) for 7 days at 22 °C and 5 °C. The reacted powders were analyzed with X-ray photoelectron spectroscopy (XPS), scanning electron microscopy, and energy-dispersive X-ray spectroscopy to characterize the Ni surface precipitates formed. Evidence from these techniques pointed to the formation of mixed Ni carbonate-Ni hydroxide amorphous surface precipitates. On calcite, XPS detected primarily Ni(OH) 2 despite the initial solutions being more supersaturated with respect to gaspéite (NiCO 3 ) than to theophrastite (Ni(OH) 2 ) by a factor of 17–18. In contrast, NiCO 3 was the dominant component detected by XPS on magnesite in the same conditions. Decreasing the temperature had the effect of increasing the proportion of NiCO 3 to the detriment of Ni(OH) 2 . The experimental observations were consistent with low lattice/cation size mismatch favoring NiCO 3 nucleation and temperature most influencing Ni(OH) 2 nucleation. Comparison to previous work on Co-reacted powders indicated the differences in lattice/cation size mismatch and/or water exchange rate impacted the composition of the surface precipitates more than the relative thermodynamic stabilities of the competing minerals. This work explored the heterogeneous growth regime of Ni carbonate and hydroxide phases on carbonate surfaces and shed light on the factors that control the competition between surface precipitates when mineral surfaces are in contact with aqueous solutions supersaturated with respect to multiple mineral phases. In conclusion, these results contribute to geochemists’ efforts toward interpreting data from geochemical systems with elevated Ni concentrations, improving Ni environmental remediation and recovery strategies, and predicting the fate and transport of Ni in geochemical systems.

Heterogeneous nucleation↗
DOE OSTI2020

Supertwisted spirals of layered materials enabled by growth on non-Euclidean surfaces

Using curves to make twists The growth of layered materials on flat substrates usually occurs in stacked layers, although defects or a lattice mismatch can induce strains that distort the shape of subsequent layers. However, these effects are usually small and can be uncontrolled. Zhao et al. now demonstrate the possibility of synthesizing multilayers of two-dimensional materials with certain twists between the layers induced by the presence of screw dislocations in combination with curved substrate surfaces. Different twist angles are achieved by varying the amount of nonplanarity and the character (conical or hyperbolic) of the surface. Science , this issue p. 442

Science & Technology - Other Topics↗