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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects

In integrating topological insulators (TIs) with conventional materials, one crucial issue is how the topological surface states (TSS) will behave in such heterostructures. We use first-principles approaches to establish accurate tunability of the vertical location of the TSS via intriguing dual-proximity effects. By depositing a conventional insulator (CI) overlayer onto a TI substrate (Bi 2 Se 3 or Bi 2 Te 3 ), we demonstrate that, the TSS can float to the top of the CI film, or stay put at the CI/TI interface, or be pushed down deeper into the otherwise structurally homogeneous TI substrate. These contrasting behaviors imply a rich variety of possible quantum phase transitions in the hybrid systems, dictated by key material-specific properties of the CI. These discoveries lay the foundation for accurate manipulation of the real space properties of TSS in TI heterostructures of diverse technological significance.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Quench Module Insert (QMI) and the Diffusion Module Insert (DMI) Furnace Development

The Quench Module Insert (QMI) and the Diffusion Module Insert (DMI) are microgravity furnaces under development at Marshall Space Flight Center. The furnaces are being developed for the first Materials Science Research Rack (MSRR-1) of the Materials Science Research Facility (MSRF), one of the first International Space Station (ISS) scientific payloads. QMI is a Bridgman furnace with quench capability for studying interface behavior during directional solidification of metallic and alloy materials. DMI will be a Bridgman-Stockbarger furnace to study diffusion processes in semiconductors. The design for each insert, both QMI and DMI, is driven by specific science, operations and safety requirements, as well as by constraints arising from resource limitations, such as volume, mass and power. Preliminary QMI analysis and testing indicates that the design meets these requirements.

Crouch, Myscha R.↗
DOE OSTI2016

Grain structure, texture and mechanical property evolution of automotive aluminium sheet during high power ultrasonic welding

High power ultrasonic spot welding (HPUSW) is a joining technique which is performed within less than a second and provides a more energy-efficient alternative to friction stir spot welding (FSSW), which is considered a longer cycle manufacturing process for joining automotive alloys. To date, only a few reports exist on the deformation mechanisms that take place during high power ultrasonic spot welding. In this work, dynamic recrystallization and grain growth were examined using electron backscatter diffraction (EBSD). HPUSW causes extensive deformation within the weld zone where the temperature increases to 440 °C. An ultra-fine grain structure was observed in a thin band of flat weld interface within a short welding time of 0.10 s. With increasing welding time the interface was displaced and ‘folds’ or ‘crests’ appeared together with shear bands. The weld interface progressively changed from flat to sinusoidal and eventually to a convoluted wave-like pattern when the tool fully penetrated the workpiece, having a wavelength of ~ 1 mm after 0.40 s. Finally, the microstructure and texture varied significantly depending on the location within the weld. Although the texture near the weld interface was relatively weak, a shift was observed with increasing welding time from an initially Cube-dominated texture to one where the typical β-fibre Brass component prevailed. - Highlights: •Lap shear strength of ~2.9 kN was achieved in 0.30 sec welding time. •Temperature approached 440 °C along the weld centreline for the highest welding time. •The texture near the teeth was dominated by Brass, P and S components at optimum condition. •The weld interface showed typical β-fibre deformation texture at optimum condition.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating Manufacturing of Powder-Processed Strong, Lightweight and Thermally Stable Bulk Nanocrystalline Al Alloys via Engineered Interface States

The overarching goal of this program is to develop an integrated materials by design framework enabling a simple, scalable, and efficient manufacturing route for thermally stable nanocrystalline Al-based alloys with high specific strength over a range of service temperatures. The central scientific principle underpinning this program is the elucidation, and ultimately implementation in novel alloy design, of unique interfacial structures and chemistries driven by segregation in multi-component systems that give rise to unprecedented processability and properties. This program targeted nanocrystalline Al-based ternary alloys produced by mechanical alloying of powders followed by compaction and sintering with hot pressing, which are inherently scalable and inexpensive manufacturing routes, but when applied to nanocrystalline alloys are usually plagued by low density and/or poor retention of the intended nanostructures during processing. This program successfully demonstrated manufacturing of a bulk (>1 cm 3 ) nanocrystalline Al-based alloy with a combination of thermal stability, high temperature strength retention, and specific strength that exceeds the current-state-of-the-art of Al alloys. It is anticipated that the greatest technological impact will occur by demonstration of rapid and scalable manufacturing of bulk nanocrystalline Al alloys with exceptional thermal stability and mechanical performance, thus enabling increased energy efficiency in high performance power generation systems via: (i) replacement of existing components with lightweight Al-based alloys and (ii) increasing operating temperatures with property retention. The program focused on the development of a simple and efficient manufacturing route for thermally stable nanocrystalline Al-based alloys with high specific strength over a range of service temperatures. The program is expected to have direct impact on scalable and economic manufacturing of bulk nanocrystalline alloys. This program profited from the recent discovery by the project team of segregation-driven amorphous intergranular films in nanocrystalline metallic alloys that can be kinetically frozen-in at sub-solidus temperatures. These interfacial states (also known as amorphous complexions) comprise a large fraction of the total material in nanocrystalline alloys and are responsible for two beneficial characteristics that anchor the proposed work: (1) activated sintering leading to high density and (2) retained nanostructures leading to high strengths that approach a substantial fraction of the theoretical limit. More specifically, these engineered interfaces led to a three-fold benefit: (i) high-throughput materials processing with low energy budget and cost, (ii) exceptional thermal stability, and (iii) high specific strength at both room temperature and intermediate temperatures experienced during service.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Structure and chemistry of passivated SiC/SiO{sub 2} interfaces

Here, we report on the chemistry and structure of 4H-SiC/SiO{sub 2} interfaces passivated either by nitric oxide annealing or Ba deposition. Using aberration corrected scanning transmission electron microscopy and spectroscopy, we find that Ba and N remain localized at SiC/SiO{sub 2} interface after processing. Further, we find that the passivating species can introduce significant changes to the near-interface atomic structure of SiC. Specifically, we quantify significant strain for nitric oxide annealed sample where Si dangling bonds are capped by N. In contrast, strain is not observed at the interface of the Ba treated samples. Finally, we place these results in the context of field effect mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Direct exchange between silicon nanocrystals and tunnel oxide traps under illumination on single electron photodetector

In this paper we present the trapping of photogenerated charge carriers for 300 s resulted by their direct exchange under illumination between a few silicon nanocrystals (ncs-Si) embedded in an oxide tunnel layer (SiO{sub x} = 1.5) and the tunnel oxide traps levels for a single electron photodetector (photo-SET or nanopixel). At first place, the presence of a photocurrent limited in the inversion zone under illumination in the I–V curves confirms the creation of a pair electron/hole (e–h) at high energy. This photogenerated charge carriers can be trapped in the oxide. Using the capacitance-voltage under illumination (the photo-CV measurements) we show a hysteresis chargement limited in the inversion area, indicating that the photo-generated charge carriers are stored at traps levels at the interface and within ncs-Si. The direct exchange of the photogenerated charge carriers between the interface traps levels and the ncs-Si contributed on the photomemory effect for 300 s for our nanopixel at room temperature.

36 MATERIALS SCIENCE↗
NASA NTRS2015

A Framework for Orbital Performance Evaluation in Distributed Space Missions for Earth Observation

Distributed Space Missions (DSMs) are gaining momentum in their application to earth science missions owing to their unique ability to increase observation sampling in spatial, spectral and temporal dimensions simultaneously. DSM architectures have a large number of design variables and since they are expected to increase mission flexibility, scalability, evolvability and robustness, their design is a complex problem with many variables and objectives affecting performance. There are very few open-access tools available to explore the tradespace of variables which allow performance assessment and are easy to plug into science goals, and therefore select the most optimal design. This paper presents a software tool developed on the MATLAB engine interfacing with STK, for DSM orbit design and selection. It is capable of generating thousands of homogeneous constellation or formation flight architectures based on pre-defined design variable ranges and sizing those architectures in terms of predefined performance metrics. The metrics can be input into observing system simulation experiments, as available from the science teams, allowing dynamic coupling of science and engineering designs. Design variables include but are not restricted to constellation type, formation flight type, FOV of instrument, altitude and inclination of chief orbits, differential orbital elements, leader satellites, latitudes or regions of interest, planes and satellite numbers. Intermediate performance metrics include angular coverage, number of accesses, revisit coverage, access deterioration over time at every point of the Earth's grid. The orbit design process can be streamlined and variables more bounded along the way, owing to the availability of low fidelity and low complexity models such as corrected HCW equations up to high precision STK models with J2 and drag. The tool can thus help any scientist or program manager select pre-Phase A, Pareto optimal DSM designs for a variety of science goals without having to delve into the details of the engineering design process.

Earth Science↗
DOE OSTI2012

Generation of planar defects caused by the surface diffusion of Au atoms on SiNWs

The generation of planar defects in silicon nanowires (SiNWs) synthesized by means of a vapor–liquid–solid (VLS) procedure using Au as a catalyst in an ultra-high vacuum chemical vapor deposition (UHV-CVD) system was investigated. Faceting, the formation of planar defects and the diffusion of Au in SiNWs occurred simultaneously, proportional to the growth temperature and the ratio of the H{sub 2} precursor gas. The planes located on the sidewalls of the wire after Au diffusion were faceted (1 1 1) and (1 0 0) surfaces, which represent equilibrium configurations of Si due to surface energy minimization during rapid wire growth under unstable conditions. Moreover, (1 1 1) twin defects were formed on the sidewalls of the faceted boundaries where the Au clusters were mainly located, due to the surface tension of the Au atoms, resulting in clusters at the liquid/solid interfaces in SiNWs with a 〈1 1 1〉 growth direction.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Electrical characteristics of Au/n-GaAs structures with thin and thick SiO{sub 2} dielectric layer

The aim of this study, to explain effects of the SiO{sub 2} insulator layer thickness on the electrical properties of Au/n-GaAs Shottky barrier diodes (SBDs). Thin (60 A) and thick (250 A) SiO{sub 2} insulator layers were deposited on n-type GaAs substrates using the plasma enganced chemical vapour deposition technique. The current-voltage (I-V) and capacitance-voltage (C-V) characteristics have been carried out at room temperature. The main electrical parameters, such as ideality factor (n), zero-bias barrier height ({phi}{sub Bo}), series resistance (R{sub s}), leakage current, and interface states (N{sub ss}) for Au/SiO{sub 2}/n-GaAs SBDs have been investigated. Surface morphologies of the SiO{sub 2} dielectric layer was analyzed using atomic force microscopy. The results show that SiO{sub 2} insulator layer thickness very affects the main electrical parameters. Au/n-GaAs SBDs with thick SiO{sub 2} insulator layer have low leakage current level, small ideality factor, and low interface states. Thus, Au/n-GaAs SBDs with thick SiO{sub 2} insulator layer shows better diode characteristics than other.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Anomalous effect due to oxygen vacancy accumulation below the electrode in bipolar resistance switching Pt/Nb:SrTiO{sub 3} cells

In conventional semiconductor theory, greater doping decreases the electronic resistance of a semiconductor. For the bipolar resistance switching (BRS) phenomena in oxides, the same doping principle has been used commonly to explain the relationship between the density variation of oxygen vacancies (V{sub o}¨) and the electronic resistance. We find that the V{sub o}¨ density can change at a depth of ∼10 nm below the Pt electrodes in Pt/Nb:SrTiO{sub 3} cells, depending on the resistance state. Using electron energy loss spectroscopy and secondary ion mass spectrometry, we found that greater V{sub o}¨ density underneath the electrode resulted in higher resistance, contrary to the conventional doping principle of semiconductors. To explain this seemingly anomalous experimental behavior, we provide quantitative explanations on the anomalous BRS behavior by simulating the mobile V{sub o}¨ [J. S. Lee et al., Appl. Phys. Lett. 102, 253503 (2013)] near the Schottky barrier interface.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structure of Diamond-Like Silicon–Carbon Films Alloyed by Vanadium

The structure of diamond-like silicon–carbon films formed on silicon substrates by magnetron and plasmatron codeposition using a closed-field magnetron and a plasmatron activated by tungsten cathode has been studied by transmission electron microscopy. The main feature of the films alloyed by vanadium to concentrations of 12–31 at % was found to be a layered structure of the film cross section. It was established that vanadium alloying leads to the formation of vanadium carbide (VC) nanocrystals; the nanocrystal size increases from 1–2 to 10 nm. At the maximum vanadium content, VC nanocrystals have an anisotropic shape: they are extended in the direction perpendicular to the film–substrate interface.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Photocatalytic activity and stability of TiO{sub 2} and WO{sub 3} thin films

Photocatalysis represents a viable option for complete degrading the dye molecules resulted in the textile industry, up to products that do not represent environmental threats. The photocatalytic degradation of methyl orange has been investigated using TiO{sub 2}, WO{sub 3} and mixed thin films. The photodegradation efficiency is examined in correlation with the experimental parameters (irradiation time, H{sub 2}O{sub 2} addition and stability), along with the morphology and crystallinity data. The H{sub 2}O{sub 2} addition increases the photodegradation efficiency by providing additional hydroxyl groups and further reducing the recombination of the electron-hole pairs by reacting with the electrons at the catalyst interface. To test the stability of the photocatalytic films in long time running processes, batch series of experiments were conducted using contact periods up to 9 days. The results show that the thin films maintained their photocatalytic properties confirming their stability and viability for up-scaling. Highlights: Black-Right-Pointing-Pointer TiO{sub 2}, WO{sub 3} and mixed thin films Black-Right-Pointing-Pointer We tested the photocatalytic activity and photocatalyst stability over a period up to 9 days of continuous irradiation. Black-Right-Pointing-Pointer The influence of medium pH and oxidizing agent (H{sub 2}O{sub 2}) was analyzed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Ion-specific effects influencing the dissolution of tricalcium silicate

It has been recently demonstrated that the dissolution kinetics of tricalcium silicate (C{sub 3}S) is driven by the deviation from its solubility equilibrium. In this article, special attention is paid to ions relevant in cement chemistry likely to interact with C{sub 3}S. In order to determine whether specific effects occur at the interface C{sub 3}S–water, particular efforts have been made to model ion activities using Pitzer's model. It has been found that monovalent cations and monovalent anions interact very little with the surface of C{sub 3}S. On the other side, divalent anions like sulfate slow down the dissolution more strongly by modifying the surface charging of C{sub 3}S. Third, aluminate ions covalently bind to surface silicate monomers and inhibit the dissolution in mildly alkaline conditions. The formation and the breaking of these bonds depend on pH and on [Ca{sup 2+}]. Thermodynamic calculations performed using DFT combined with the COSMO-RS solvation method support the experimental findings.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ion Distribution and Cation Exchange at Mica–Electrolyte Interfaces Probed with Deep Potential Molecular Dynamics

Here, we investigate the Stern layer structure and cation exchange mechanism at muscovite mica-electrolyte interfaces using nanosecond timescale molecular dynamics simulations based on deep neural network interatomic potentials trained on Density Functional Theory (DFT) data. Focusing on mica with exposed surface K + interfaced with aqueous NaCl and mica with surface Na + interfaced with KCl solution, we find that K + remains predominantly in inner-sphere configurations, while Na + exhibits notable populations in outer-sphere states. Most importantly, our simulations show that contact with an electrolyte solution results in the co-adsorption of multiple cation species, making the mica surface locally overcharged and thus reshaping the cation speciation in a manner that enhances the tendency of neighboring surface cations to desorb. These findings are consistent with recent experimental observations that co-adsorption of different cation species induces changes in cation speciation and slow kinetics of cation exchange at the muscovite-water interface, providing a basis for their detailed understanding.

36 MATERIALS SCIENCE↗
NASA NTRS2017

The Evolution of the Orbiting Sample Container for a Future Mars Sample Return

Although NASA has no specific plans at this time to return samples from Mars, the Program Formulation Office of the Mars Exploration Program sponsors ongoing mission concept studies, systems analyses, and technology investments which explore different strategies for the potential return of samples from Mars, consistent with the charter of the program and stated priorities of the science community. A critical component of such a campaign would be an Orbiting Sample container (OS), which would contain the Mars samples to be returned to Earth. This paper discusses the most recent efforts by the JPL’s Mars Formulation Office to mature an OS design planned for use on a potential Mars Sample Return (MSR) mission. Similar to the “Decadal Study Architecture” [1], the current MSR architecture envisions as a three-mission campaign with each mission serving a critical role towards returning Martian rock and atmospheric samples back to Earth. An OS would be a central piece of hardware in the proposed MSR architecture due to its interfaces to all the three missions of the potential campaign. Additionally, numerous stakeholders and subsystems such as science and planetary protection impose challenging requirements on the OS’s functions and capabilities. As a result, designing an OS that meets all the requirements is challenging and quite complex. The story of the OS’s evolution from black box concept thru to the current-and-still-maturing baseline design is the focus of this paper. From the OS’s launch off Earth aboard a Sample Retrieval Lander (SRL) through to return to Earth, the design and functional requirements generated by and for each stage of the OS’s mission are discussed. Then, with an understanding of what the OS would be required to do, a mapping of the main requirements to the design features of the current OS concept is explained. Many tests and analyses have been conducted to support and validate the current OS design. Results from test and analysis in the areas of aerothermal, impact dynamics, optical tracking, and radio electromagnetics are presented.

Spencer, David↗
DOE OSTI2012

Improved memory characteristics by NH{sub 3}-nitrided GdO as charge storage layer for nonvolatile memory applications

Charge-trapping memory capacitor with nitrided gadolinium oxide (GdO) as charge storage layer (CSL) is fabricated, and the influence of post-deposition annealing in NH{sub 3} on its memory characteristics is investigated. Transmission electron microscopy, x-ray photoelectron spectroscopy, and x-ray diffraction are used to analyze the cross-section and interface quality, composition, and crystallinity of the stack gate dielectric, respectively. It is found that nitrogen incorporation can improve the memory window and achieve a good trade-off among the memory properties due to NH{sub 3}-annealing-induced reasonable distribution profile of a large quantity of deep-level bulk traps created in the nitrided GdO film and reduction of shallow traps near the CSL/SiO{sub 2} interface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Summary Report on Ion Irradiation Study of Ceramic Coating on Suppressing FCCI

Advanced cladding is critical for advanced nuclear reactors with an enhanced performance in radiation tolerance and neutron transparency. Using advanced cladding will ensure the adequate thermal conductivity and mechanical stability of the cladding base material, corrosion resistance, high-temperature coolant compatibility of the cladding surface, and chemical stability in the cladding inner wall against fuel cladding chemical interaction (FCCI). An innovative cladding with a three-layer structure (i.e., a modified surface, a clad base material, and a modified inner wall) promises to meet all these requirements. Initial research and development (R&D) regarding this innovative cladding seek to demonstrate the effectiveness of a thin ceramic coating in suppressing FCCI under ion irradiation to high dose. This United States (U.S.) Department of Energy (DOE)–Office of Nuclear Energy (NE) project report summarizes the results of recent ion irradiation studies of diffusion-couple samples with details of an ion irradiation experiment, the characterization of the interface microstructure of cerium (Ce)/titanium nitride (TiN)/oxide-dispersion strengthened (ODS), Ce/TiN/iron (Fe), Ce/ODS, and Ce/Fe samples irradiated with 80 million electron-volts (MeV) of xenon (Xe) ions to 100 displacements per atom (dpa) at 500?C using the Argonne Tandem Linac Accelerator System (ATLAS) facility at Argonne National Laboratory (ANL). The results of the ODS-substrate sample are encouraging and demonstrate the effectiveness of a thin ceramic coating on FCCI mitigation under irradiation. The results from an Fe-substrate sample revealed a complex microstructure, and the root cause is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructure tuning and magnetism switching of ferroelectric barium titanate

Single-crystal and polycrystal BaTiO{sub 3} (BTO) materials synthesized by the physical and chemical methods, respectively, have been studied based on microstructural characterizations and magnetic measurements. The results of X-ray diffraction and Raman scatting spectra show that a single crystal tetragonal to polycrystalline pseudo-cubic structure transformation occurs in BTO ferroelectrics, dependent of growth conditions and interface effects. High-resolution transmission electron microscope data indicate that the as-prepared BTO/SrTiO{sub 3} (001) and BTO/SrRuO{sub 3}/SrTiO{sub 3} (001) heterostructures are highly c-axis oriented with atomic sharp interfaces. Lattice defects (i.e., edge-type misfit dislocations and stacking faults) in the heterostructures could be identified clearly and showed tunable with the variations of interface strain. Furthermore, the effects of vacancy defects on magnetic properties of BTO are discussed, which shows a diamagnetism–ferromagnetism switching as intrinsic vacancies increase. This work opens up a possible avenue to prepare magnetic BTO ferroelectrics. - Highlights: • Structure of BTO is tunable, depending on growth conditions and interface strain. • STEM–EDX data indicate the presence of lattice defects in BTO ferroelectrics. • BTO magnetism could be controlled by defects showing dia-ferromagnetism switching. • BTO with more vacancies shows RTFM, as evidence of vacancy magnetism effects.

36 MATERIALS SCIENCE↗