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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Synthesis of Macroscopic Single Crystals of Ge 2 Sb 2 Te 5 via Single-Shot Femtosecond Optical Excitation

Using in situ electron diffraction techniques, we demonstrate that femtosecond optical excitation above a threshold fluence of the amorphous, as-deposited, phase change material Ge 2 Sb 2 Te 5 creates large, 100 μm scale single crystals. This is 2 orders of magnitude larger than previously reported grains synthesized via photoexcitation. Transmission electron microscopy shows that these large crystals are dewetted regions with a face-centered cubic structure. Energy-dispersive X-ray spectroscopy indicates that the crystals have the same composition as the initial amorphous phase. In this work, we present a theoretical model which shows that this arises from a crossover from a nucleation-dominated crystallization regime to a growth-dominated crystallization regime, and we show that the measured grain size is consistent with Johnson–Mehl–Avrami–Kolmogorov (JMAK) crystallization theory for temperatures near the melting temperature. The ability to grow macroscopic single crystals from an amorphous material, and on arbitrary amorphous substrates, opens up a large area of potential applications, as well as new opportunities for tuning the nucleation, growth, and switching characteristics of phase-change materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Selective modulation of electronic transport in VO 2 induced by 10 keV helium ion irradiation

Vanadium dioxide (VO 2 ) manifests an abrupt metal–insulator transition (MIT) from monoclinic to rutile phases, with potential use for tunable electronic and optical properties and spiking neuromorphic devices. Understanding pathways to modulate electronic transport in VO 2 , as well as its response to irradiation (e.g., for space applications), is critical to better enable these applications. In this work, we investigate the selective modulation of electronic transport in VO 2 films subject to different 10 keV helium ion (He + ) fluences. Under these conditions, the resistivity in the individual monoclinic and rutile phases varied by 50%–200%, while the MIT transformation temperature remains constant within 4 °C independent of irradiation fluence. Importantly, different trends in the resistivity of the monoclinic and rutile phases were observed both as a function of total He fluence as well as in films grown on different substrates (amorphous SiO 2 /Si vs single crystal Al 2 O 3 ). Through a combination of measurements including majority carrier sign via Seebeck, low frequency noise, and TEM, our investigation supports the presence of different kinds of point defects (V in; O in), which may arise due to grain boundary defect interactions. Our work suggests the utility of He irradiation for the selective modulation of VO 2 transport properties for neuromorphic, in contrast to other established but non-selective methods, like doping.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Chemisorption and reactions on clusters of nickel atoms

The nucleation and growth of metallic clusters on a substantially amorphous substrate are discussed with emphasis on the geometrical and electronic structure of the clusters. Several clusters of different symmetry containing five to nine nickel atoms were studied. It was found that the energy range of primary d-like states is not significantly different from the width of the d-band states in nickel metal, as long as the interatomic distance is comparable to that in the bulk metal. The approach of one or more molecules to the cluster is examined using at the hydrogenation of acetylene and the dehydrogenation of ethylene as examples.

Waber, J. T.↗
NASA NTRS1989

Making Submicron CoSi2 Structures On Silicon Substrates

Experimetnal fabrication process makes submicron-sized structures of single-crystal metallic CoSi2 on silicon substrates. Amorphous Co:Si(1:2) crystallized by electron beam becoming single-crystal CoSi2. Remaining amorphous Co:Si then preferentially etched away. When fully developed, process used to make fine wires or dots exhibiting quantum confinement of charge carriers.

Nieh, Simon K. W.↗
NASA NTRS1980

Direct /TEM/ observation of the catalytic oxidation of amorphous carbon by Pd particles

The catalytic oxidation of amorphous carbon substrates by Pd particles is observed by in situ transmission electron microscopy. Various modes of selective attack of the carbon substrate in the immediate neighborhood of Pd particles are observed, which can be correlated with different degrees of particle mobility. Using amorphous substrates we have been able to demonstrate that the particle-substrate interaction is influenced by the structure of the particle. This has not previously been noted.

Moorhead, R. D.↗
NASA NTRS1981

Cluster adsorption on amorphous and crystalline surfaces - A molecular dynamics study of model Pt on Cu and model Pd on Pt

Molecular dynamics was used to study the structure, dispersion and short-time behavior of ten-atom clusters adsorbed onto amorphous and crystalline substrates, in which the cluster atoms differed from the substrate atoms. Two adatom-substrate model systems were chosen; one, in which the interaction energy between adatom pairs was greater than that between substrate pairs, and the other, in which the reverse was true. At relatively low temperature ranges, increased dispersion of cluster atoms occurred: (a) on the amorphous substrate as compared to the FCC(100) surface, (b) with increasing reduced temperature, and (c) with adatom-substrate interaction energy stronger than adatom-adatom interaction. Two-dimensional clusters (rafts) on the FCC(100) surface displayed migration of edge atoms only, indicating a mechanism for the cluster rotation and shape changes found in experimental studies.

Garofalini, S. H.↗
DOE OSTI2021

Thermal stability and diffusion characteristics of ultrathin amorphous carbon films grown on crystalline and nitrogenated silicon substrates by filtered cathodic vacuum arc deposition

Amorphous carbon (a-C) films are widely used as protective overcoats in many technology sectors, principally due to their excellent thermophysical properties and chemical inertness. The growth and thermal stability of sub-5-nm-thick a-C films synthesized by filtered cathodic vacuum arc on pure (crystalline) and nitrogenated (amorphous) silicon substrate surfaces were investigated in this study. Samples of a-C/Si and a-C/SiN x /Si stacks were thermally annealed for various durations and subsequently characterized by high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The TEM images confirmed the continuity and uniformity of the a-C films and the 5-nm-thick SiN x underlayer formed by silicon nitrogenation using radio-frequency sputtering. The EELS analysis of cross-sectional samples revealed the thermal stability of the a-C films and the efficacy of the SiNx underlayer to prevent carbon migration into the silicon substrate, even after prolonged heating. The obtained results provide insight into the important attributes of an underlayer in heated multilayered media for preventing elemental intermixing with the substrate, while preserving the structural stability of the a-C film at the stack surface. An important contribution of this investigation is the establishment of an experimental framework for accurately assessing the thermal stability and elemental diffusion in layered microstructures exposed to elevated temperatures.

42 ENGINEERING↗
DOE OSTI2021

Comparison of water nanodroplet properties on different graphite-based substrates

The molecular structure and dynamics of water differ considerably at various interfaces. We compare the interfacial water structure–property relationship on three different carbon substrates, namely, amorphous carbon, compressed expanded natural graphite, and pure graphite by utilizing atomistic molecular dynamics simulations. The effect of different substrates on the structural and dynamical properties of water can readily be observed. Here, the density distributions parallel and normal to the substrates show oblate droplet structures. The normal to the substrate water distribution shows a strong hydration layer at the interface that does not vary with substrates. However, the disparity in the structure and dynamics on three different substrates shows that the surface morphologies of the substrates are critical for determining nanoscale water properties. Furthermore, it is observed that the formation of an interfacial water layer or the hydration layer is a direct consequence of both water “confinement” at the nanoscale and “attraction” between water molecules and the carbon substrates.

42 ENGINEERING↗
NASA NTRS1994

Amorphous to Amorphous Form Transitions of Water Ice and Astrophysical Implications

We have combined Selected Area Electron Diffraction (SAED) and cryogenic techniques in an instrumental configuration that allows observing the structure of vapor deposited ice as it evolves during warmup. The ice is deposited in-situ inside an Hitachi H-500 H transmission electron microscope at a base pressure of 1-5 x 10(exp -7) torr on a thin amorphous carbon substrate at 15K or 86K and warmed up at a rate of 1-2 K/min. We find a progression of amorphous forms and well defined amorphous to amorphous transitions. Apart from the well known low-density form of ice, we confirm the presence of a high-density form and find a third amorphous form that coexists with cubic ice. We will report too on the amorphous to crystalline transition and the implications of these results for radical diffusion and gas retention observed in laboratory analog studies of interstellar and cometary ices.

Jenniskens, Peter↗
DOE OSTI2026

Quadratic magnetoresistance across the insulator–metal transition in V4O7 thin films

We present a comparative magnetotransport study of V4O7 thin films grown simultaneously on single-crystal Al2O3 (r-cut) and amorphous SiO2 substrates, to examine substrate-induced effects on electronic transport across the insulator–metal transition (IMT). Temperature-dependent resistivity reveals a broad electronic ordering regime below the IMT, with both films exhibiting similar transition temperatures but differing by nearly an order of magnitude in absolute resistivity. Despite this strong substrate dependence of the resistivity scale, the magnetoresistance remains predominantly quadratic in magnetic field over wide temperature intervals for both substrates. Analysis of the quadratic magnetoresistance defines an effective mobility scale that evolves systematically across the IMT and exhibits a similar temperature dependence for the two films. Structural characterization, including atomic-resolution scanning transmission electron microscopy of the V4O7/Al2O3 interface and azimuthal X-ray diffraction measurements, reveals a sharp interface and well-defined in-plane crystallographic registry for the r-cut film, in contrast to the rotationally averaged in-plane structure expected for films grown on amorphous SiO2. These results indicate that while substrate-controlled structural registry modifies the resistivity scale, the quadratic magnetotransport response across the IMT remains largely robust, providing a consistent diagnostic of electronic transport in V4O7 thin films.

25 ENERGY STORAGE↗
DOE OSTI2026

Molecular dynamics simulations of reflection and sputtering behavior of boron under deuterium ion irradiation

Boronization is a commonly used method of wall conditioning in fusion reactors. The application of boron films to the plasma-facing materials results in enhanced plasma performance due to the reduction of intrinsic impurities. This is primarily driven by a reduction in oxygen content that is chemically trapped in the boron film. The reactive nature of these boron films also raises questions concerning interactions with hydrogen isotopes. In this work, boron-deuterium interactions were studied using molecular dynamics (MD). Reactive force field potentials were used to model the chemical interactions between B and D. An amorphous boron substrate was irradiated by D atoms at varying incident energies, 10 eV < E i < 150 eV and angles, 0° < α < 85°. The reflection probability was calculated and compared to results from the commonly-used binary collision approximation (BCA) method. This comparison found that the BCA underestimated the reflection probability at E i < 35 eV and α > 45 ∘ . The source of this discrepancy was found to be the surface binding energy model. The BCA calculation with an isotropic surface binding energy model was more closely aligned to the MD result. This, in combination with a correction function based on the MD results allows for corrections to the reflection probability of deuterium impinging on boron surfaces. The sputtering of the substrate material was also studied. While this study did not contain sufficient events to quantitatively describe the sputtering behavior, some qualitative results emerged: namely, chemical sputtering of B and D-containing molecules (BD, BD 2 , BD 3 ) at low ( < 20 eV) incident deuterium energies. This result suggests that chemical sputtering could be a significant factor in limiting boron coating lifetime when exposed to lower ion energies, such as those in detached plasmas. The results show that chemical interactions should be taken into account when modeling the interactions between D ions and B surfaces.

Boron↗
NASA NTRS1975

Interface effects in the dissolution of silicon into thin gold films

The dissolution of crystalline Si and amorphous Si substrates into thin films of evaporated Au was studied with an electron microprobe and scanning electron microscopy. The dissolution pattern was found to be nonuniform along the plane of the surface and dependent on the crystalline orientation of the Si substrate. The dissolution is greatly facilitated when a very thin layer of Pd is evaporated between the Si substrate and the Au film.

Sankur, H.↗
NASA NTRS1985

Chemical structure of interfaces

The interfacial structure of silicon/dielectric and silicon/metal systems is particularly amenable to analysis using a combination of surface spectroscopies together with a variety of chemical structures of Si/SiO2, Si/SiO2Si3N4, Si/Si2N2O, Si/SiO2/Al, and Si/Native Oxide interfaces using high resolution (0.350 eV FWHM) X ray photoelectron spectroscopy. The general structure of these dielectric interfaces entails a monolayer chemical transition layer at the Si/dielectric boundary. Amorphous Si substrates show a wide variety of hydrogenated Si and Si(OH) sub x states that are not observed in thermal oxidation of single crystal material. Extended SiO2 layers greater than 8 A in thickness are shown to be stoichiometric SiO2, but to exhibit a wide variety of local network structures. In the nitrogen containing systems, an approach to stoichiometric oxynitride compounds with interesting impurity and electron trapping properties are seen. In native oxides, substantial topographical nonuniformity in oxide thickness and composition are found. Analysis of metal/oxide interfacial layers is accomplished by analytical removal of the Si substrate by UHV XeF2 dry etching methods.

Grunthaner, F. J.↗
NASA NTRS1985

Palladium silicide formation under the influence of nitrogen and oxygen impurities

The effect of impurities on the growth of the Pd2Si layer upon thermal annealing of a Pd film on 100 line-type and amorphous Si substrates is investigated. Nitrogen and oxygen impurities are introduced into either Pd or Si which are subsequently annealed to form Pd2Si. The complementary techniques of Rutherford backscattering spectrometry, and N-15(p, alpha)C-12 or O-18(p, alpha)N-15 nuclear reaction, are used to investigate the behavior of nitrogen or oxygen and the alterations each creates during silicide formation. Both nitrogen and oxygen retard the silicide growth rate if initially present in Si. When they are initially in Pd, there is no significant retardation; instead, an interesting snow-plowing effect of N or O by the reaction interface of Pd2Si is observed. By using N implanted into Si as a marker, Pd and Si appear to trade roles as the moving species when the silicide front reaches the nitrogen-rich region.

Ho, K. T.↗
NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗
NASA NTRS1995

One year of flight data from the PASP-Plus experiment

The PASP-Plus (Photovoltaic Array Space Power Plus Diagnostics) program is a photovoltaic experiment which is flying on the Air Force satellite APEX (Advanced Photovoltaic and Electronics Experiments). The satellite was launched on August 3, 1994 with a Pegasus low-cost launch vehicle. There are two other small experiments on APEX, however PASP-Plus is the largest, uses the most power, and accounts for the largest portion of the data requirements. The satellite is in an elliptical orbit with an apogee of 2552 km and a perigee of 363 km. The inclination is 70 degrees. The PASP-Plus experiment consists of twelve photovoltaic panels containing a total of sixteen separate cell modules. Two of the modules are concentrator modules, while the rest are planar. There are several different solar cell types flying on PASP-Plus including silicon, GaAs on germanium substrates, InP, amorphous silicon, and three multi-bandgap cells. The purpose of this paper is to present some of the data from the first year of the PASP-Plus flight. Cell performance and module thermal performance will be discussed as well as other relevant data.

Curtis, Henry↗
NASA NTRS2007

Synthesis of Poly-Silicon Thin Films on Glass Substrate Using Laser Initiated Metal Induced Crystallization of Amorphous Silicon for Space Power Application

Poly-silicon thin films on glass substrates are synthesized using laser initiated metal induced crystallization of hydrogenated amorphous silicon films. These films can be used to fabricate solar cells on low cost glass and flexible substrates. The process starts by depositing 200 nm amorphous silicon films on the glass substrates. Following this, 200 nm of sputtered aluminum films were deposited on top of the silicon layers. The samples are irradiated with an argon ion cw laser beam for annealing. Laser power densities ranging from 4 to 9 W/cm2 were used in the annealing process. Each area on the sample is irradiated for a different exposure time. Optical microscopy was used to examine any cracks in the films and loss of adhesion to the substrates. X-Ray diffraction patterns from the initial results indicated the crystallization in the films. Scanning electron microscopy shows dendritic growth. The composition analysis of the crystallized films was conducted using Energy Dispersive x-ray Spectroscopy. The results of poly-silicon films synthesis on space qualified flexible substrates such as Kapton are also presented.

Abu-Safe, Husam H.↗