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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Standardizing Interfaces for External Access to Data and Processing for the NASA Ozone Product Evaluation and Test Element (PEATE)

NASA's traditional science data processing systems have focused on specific missions, and providing data access, processing and services to the funded science teams of those specific missions. Recently NASA has been modifying this stance, changing the focus from Missions to Measurements. Where a specific Mission has a discrete beginning and end, the Measurement considers long term data continuity across multiple missions. Total Column Ozone, a critical measurement of atmospheric composition, has been monitored for'decades on a series of Total Ozone Mapping Spectrometer (TOMS) instruments. Some important European missions also monitor ozone, including the Global Ozone Monitoring Experiment (GOME) and SCIAMACHY. With the U.S.IEuropean cooperative launch of the Dutch Ozone Monitoring Instrument (OMI) on NASA Aura satellite, and the GOME-2 instrumental on MetOp, the ozone monitoring record has been further extended. In conjunction with the U.S. Department of Defense (DoD) and the National Oceanic and Atmospheric Administration (NOAA), NASA is now preparing to evaluate data and algorithms for the next generation Ozone Mapping and Profiler Suite (OMPS) which will launch on the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) in 2010. NASA is constructing the Science Data Segment (SDS) which is comprised of several elements to evaluate the various NPP data products and algorithms. The NPP SDS Ozone Product Evaluation and Test Element (PEATE) will build on the heritage of the TOMS and OM1 mission based processing systems. The overall measurement based system that will encompass these efforts is the Atmospheric Composition Processing System (ACPS). We have extended the system to include access to publically available data sets from other instruments where feasible, including non-NASA missions as appropriate. The heritage system was largely monolithic providing a very controlled processing flow from data.ingest of satellite data to the ultimate archive of specific operational data products. The ACPS allows more open access with standard protocols including HTTP, SOAPIXML, RSS and various REST incarnations. External entities can be granted access to various modules within the system, including an extended data archive, metadata searching, production planning and processing. Data access is provided with very fine grained access control. It is possible to easily designate certain datasets as being available to the public, or restricted to groups of researchers, or limited strictly to the originator. This can be used, for example, to release one's best validated data to the public, but restrict the "new version" of data processed with a new, unproven algorithm until it is ready. Similarly, the system can provide access to algorithms, both as modifiable source code (where possible) and fully integrated executable Algorithm Plugin Packages (APPs). This enables researchers to download publically released versions of the processing algorithms and easily reproduce the processing remotely, while interacting with the ACPS. The algorithms can be modified allowing better experimentation and rapid improvement. The modified algorithms can be easily integrated back into the production system for large scale bulk processing to evaluate improvements. The system includes complete provenance tracking of algorithms, data and the entire processing environment. The origin of any data or algorithms is recorded and the entire history of the processing chains are stored such that a researcher can understand the entire data flow. Provenance is captured in a form suitable for the system to guarantee scientific reproducability of any data product it distributes even in cases where the physical data products themselves have been deleted due to space constraints. We are currently working on Semantic Web ontologies for representing the various provenance information. A new web site focusing on consolidating informaon about the measurement, processing system, and data access has been established to encourage interaction with the overall scientific community. We will describe the system, its data processing capabilities, and the methods the community can use to interact with the standard interfaces of the system.

Tilmes, Curt A.↗
DOE OSTI2017

Charge density at the Al{sub 2}O{sub 3}/Si interface in Metal–lnsulator–Semiconductor devices: Semiclassical and quantum mechanical descriptions

In this paper, a quantum correction computation of the inversion layer of charge density was investigated. This study is carried out for a one-dimensional Metal–lnsulator–Semiconductor (MIS) structure with (100) oriented P-type silicon as substrate. The purpose of this paper is to point out the differences between the semiclassical and quantum-mechanical charge description at the interface Al{sub 2}O{sub 3}/Si, and to identify some electronic properties of our MIS device using different thickness of the high-k oxide and diverse temperature with different carrier statitics (Fermi–Dirak statitics and Boltzmann statitics). In particular, the calculations of capacitance voltage (C–V), sheet electron density, a relative position of subband energies and their wave functions are performed to examine qualitatively and quantitatively the electron states and charging mechanisms in our device.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation on Explosive Welding of Zr{sub 53}Cu{sub 35}Al{sub 12} Bulk Metallic Glass with Crystalline Copper

A Zr{sub 53}Cu{sub 35}Al{sub 12} bulk metallic glass (BMG) was welded to a crystalline Cu using explosive welding technique. The morphology and the composition of the composite were characterized using optical microscopy, scanning electron microscopy, energy-dispersive x-ray spectroscopy and transmission electron microscopy. The investigation indicated that the BMG and Cu were tightly joined together without visible defects, and a thin diffusion layer appeared at the interface. The captured jet at the end of the welding region mostly comes from the Cu side. Amorphous and partially crystallized structures have been observed within the diffusion layer, but the BMG in close proximity to the interface still retains its amorphous state. Nanoindentation tests reveal that the interface exhibits an increment in hardness compared with the matrix on both sides.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Specifics of Thermal Transport in Graphene Composites: Effect of Lateral Dimensions of Graphene Fillers

In this work, we report on the investigation of thermal transport in noncured silicone composites with graphene fillers of different lateral dimensions. Graphene fillers are comprised of few-layer graphene flakes with lateral sizes in the range from 400 to 1200 nm and the number of atomic planes from 1 to ~100. The distribution of the lateral dimensions and thicknesses of graphene fillers has been determined via atomic force microscopy statistics. It was found that in the examined range of the lateral dimensions, the thermal conductivity of the composites increases with increasing size of the graphene fillers. The observed difference in thermal properties can be related to the average gray phonon mean free path in graphene, which has been estimated to be around ~800 nm at room temperature. The thermal contact resistance of composites with graphene fillers of 1200 nm lateral dimensions was also smaller than that of composites with graphene fillers of 400 nm lateral dimensions. The effects of the filler loading fraction and the filler size on the thermal conductivity of the composites were rationalized within the Kanari model. The obtained results are important for the optimization of graphene fillers for applications in thermal interface materials for heat removal from high-power-density electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Atomic study on the ordered structure in Al melts induced by liquid/substrate interface with Ti solute

Atomic ordering in Al melts induced by liquid/substrate interface with Ti solute was investigated by ab initio molecular dynamics simulations and in-situ synchrotron X-ray diffraction. It is predicted that deformed nanoscale ordering Al layers with a rhombohedral-centered hexagonal structure (R3{sup ¯}m space group) instead of the intrinsic fcc structure (Fm3{sup ¯}m space group) form on substrate at temperature above Al liquids. With Al atoms stacking away from the interface, the ordering structure reaches a critical thickness, which inhibits the consecutive stacking of Al atoms on substrates. The locally stacking reconstruction induced by Ti atom relieves the accumulated elastic strain energy in ordered Al layers, facilitating fully heterogeneous nucleation on substrate beyond the deformed ordering Al layer around the melting point. The roles of liquid/substrate interface with Ti solute in the physical behavior of heterogeneous nucleation on substrate were discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Interfacial free energy and stiffness of aluminum during rapid solidification

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculation of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Modeling of ultrasound transmission through a solid-liquid interface comprising a network of gas pockets

Ultrasonic inspection of sodium-cooled fast reactor requires a good acoustic coupling between the transducer and the liquid sodium. Ultrasonic transmission through a solid surface in contact with liquid sodium can be complex due to the presence of microscopic gas pockets entrapped by the surface roughness. Experiments are run using substrates with controlled roughness consisting of a network of holes and a modeling approach is then developed. In this model, a gas pocket stiffness at a partially solid-liquid interface is defined. This stiffness is then used to calculate the transmission coefficient of ultrasound at the entire interface. The gas pocket stiffness has a static, as well as an inertial component, which depends on the ultrasonic frequency and the radiative mass.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2011

Preface to ISIF 2009 special issue of Journal of Applied Physics : science and technology of integrated functionalities.

The science and technology of ferroelectric thin films and their applications have attracted many researchers and experienced tremendous progress in the past 20 years. The recent worldwide increase in commercial applications of ferroelectric devices such as smart cards based on nonvolatile ferroelectric random access memories is a symbol of both the maturity and the acceptance of the technology. The 21st International Symposium on Integrated Ferroelectrics (ISIF 2009), held on September 22 to October 2, 2009 in Colorado Springs, CO, provided a forum for the academic and national laboratories research community and industry to present and share their new findings, achievements, and opinions on integrated ferroelectrics and their applications. The International Symposium on Integrated Ferroelectrics hosted the ISIF 2009. This was the first year where the ISIF held the conference in its new format under the name of International Symposium on Integrated Functionalities. The General Chairs of the ISIF in consultation with the Advisory Board and the ISIF community decided to revise the focus of the conference in order to broaden the scope to the science and technology of multifunctional materials and devices. This decision was taken in view that a new paradigm in materials, materials integration, and devices is emerging with a view to the development of a new generation of micro- and nanoscale multifunctional devices. The program included three plenary presentations on diverse topics such as 'The Role of Nonvolatile Memory in Ubiquitous Computing,' 'Ferroelectrics and High Density Memory Technology,' 'Nanoscale Ferroelectrics and Interfaces: Size Effects,' four tutorial lectures on diverse topics, such as 'Magnetic Memory Applications,' 'Ferroelectrics and Ferroelectric Devices,' 'Challenges for High-K Dielectrics on High Mobility Channels,' 'Solar Cell Materials,' one poster session, and eight oral sessions. Thanks to the great efforts made by the ISIF organization committee and the session chairs, the conference successfully achieved its objectives and the work presented reflected very well the most recent advances of integrated ferroelectrics and their applications, as well as advances in other areas related to the new theme of Integrated Functionalities. Many aspects of ferroelectric, piezoelectric, high-K dielectric, magnetic, and phase change materials, including the science and technology of these materials in thin film form, integration with other thin film materials (metals or oxide electrodes), and fabrication of micro- and nanostructures based on these heterostructure layers, and device architecture and physics, were addressed from the experimental point of view. Work on theory and computer simulations of the mentioned materials and devices were discussed also with a view to the promising applications to multifunctional devices. In addition, the ISIF 2009 featured discussions of alternative nonvolatile memory concepts and materials, such as phase change memories, research on multiferroics and magnetoelectric materials, ferroelectric photovoltaics, and new directions on the science of perovskites such as biomolecular/polarizable interfaces, and bio-ferroelectric and other oxide interfaces. Following the standard submission and peer review process of Journal of Applied Physics, the selected papers presented in ISIF 2009 in Colorado Springs are published in this special issue. We believe that the papers in this special issue represent the forefront contributions to ISIF 2009 in the various areas of fundamental and applied science of integrated ferroelectrics and functionalities and their applications. We would like to take this opportunity to thank the following organizations and companies for their support and sponsorship for ISIF 2009, namely: Aixact Systems GMBH, Radiant Technologies, Symetrix Corporation, and Taylor and Francis Publishers. We would also like to thank the conference and session chairs, advisory and organizing committee members for their hard work that resulted in a very successful ISIF 2009, now in its new future-looking modality of Integrated Functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Attempting to Develop the World’s Most Cost-Effective Metal 3D Printing Technology Through Industrial Adoption of a High-Temperature Electro-Magnetic Nozzle for 3D Printing and Computer Numerical Control Integration

This project aimed to make a practical system capable of sustained metal deposition in air engineered with industrial integration and controls. The Al-Ce wire feedstock was tailored with appropriate deposition and solidification properties for direct reactive interface printing (DRIP), and the goal was to integrate onto a Hybrid Manufacturing Technologies system for producing test parts without a controlled environment.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermally Driven Interfacial Degradation between Li 7 La 3 Zr 2 O 12 Electrolyte and LiNi 0.6 Mn 0.2 Co 0.2 O 2 Cathode

Solid-state batteries offer higher energy density and enhanced safety compared to the present lithium-ion batteries using liquid electrolytes. A challenge to implement them is the high resistances, especially at the solid electrolyte interface with the cathode. Sintering at elevated temperature is needed in order to get good contact between the ceramic solid electrolyte and oxide cathodes and thus to reduce contact resistances. Many solid electrolyte and cathode materials react to form secondary phases. It is necessary to find out which phases arise as a result of interface sintering and evaluate their effect on electrochemical properties. Herein, we assessed the interfacial reactions between LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) and Li 7 La 3 Zr 2 O 12 (LLZO) as a function of temperature in air. We prepared model systems by depositing thin-film NMC622 cathode layers on LLZO pellets. The thin-film cathode approach enabled us to use interface-sensitive techniques such as X-ray absorption spectroscopy in the near-edge as well as the extended regimes and identify the onset of detrimental reactions. We found that the Ni and Co chemical environments change already at moderate temperatures, on-setting from 500 °C and becoming especially prominent at 700 °C. By analyzing spectroscopy results along with X-ray diffraction, we identified Li 2 CO 3 , La 2 Zr 2 O 7 , and La(Ni,Co)O 3 as the secondary phases that formed at 700 °C. The interfacial resistance for Li transfer, measured by electrochemical impedance spectroscopy, increases significantly upon the onset and evolution of the detected interface chemistry. Our findings suggest that limiting the bonding temperature and avoiding CO 2 in the sintering environment can help to remedy the interfacial degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Two-dimensional PdSe 2 -Pd 2 Se 3 junctions can serve as nanowires

While the exfoliation of almost all layered materials results in a monolayer with the same atomic geometry as its bulk counterpart, the exfoliation of PdSe 2 results in a monolayer with a different atomic geometry and a new stoichiometry, Pd 2 Se 3 , which is a fusion of two PdSe 2 monolayers mediated by Se emission. Here we first report first-principles calculations of lateral junctions between a PdSe 2 bilayer and a Pd 2 Se 3 monolayer. In this work, we find that, while several distinct junction geometries are possible, they all exhibit empty interface states below the conduction band. As a result, light n-type doping of either or both sides, e.g. by halogen atoms replacing Se atoms, leads to a remotely-doped interface, i.e. a 1D conducting nanowire that runs along the junction, in between the two semiconductors. We have fabricated such junctions inside a scanning transmission electron microscope (STEM), but doping and transport measurements are not currently practical.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structural investigations of interfaces in Fe{sub 90}Sc{sub 10} nanoglasses using high-energy x-ray diffraction

High-resolution diffraction experiments of Fe{sub 90}Sc{sub 10} nanoglasses and rapidly quenched metallic glasses as reference materials have been performed using high-energy x-rays with a wavelength of 0.21 Angst from a synchrotron radiation source. Nanoglasses are amorphous alloys with a significant fraction of interfaces on the nanometer scale. The short- and intermediate-range orders of a nanoglass are different from the well known amorphous materials produced by rapid quenching from the melt. These structural modifications have significant influence on the physical properties. In this paper, the short- and intermediate-range orders of the nanoglass Fe{sub 90}Sc{sub 10} and the reference metallic glass Fe{sub 90}Sc{sub 10} alloy prepared by rapid quenching are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2011

The Fluid Interface Reactions Structures and Transport (FIRST) EFRC (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

"The Fluid Interface Reactions, Structures and Transport (FIRST) EFRC" was submitted by FIRST to the "Life at the Frontiers of Energy Research" video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. FIRST, an EFRC directed by David J. Wesolowski at the Oak Ridge National Laboratory is a partnership of scientists from nine institutions: Oak Ridge National Laboratory (lead), Argonne National Laboratory, Drexel University, Georgia State University, Pennsylvania State University, Vanderbilt University, University of California Davis and Riverside, University of Delaware and University of Minnesota. The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges. The mission of Fluid Interface Reactions, Structures and Transport (FIRST) Center is 'to develop quantitative and predictive models of the unique nanoscale environment at fluid-solid interfaces that will enable transformational advances in electrical energy storage and heterogeneous catalysis for solar fuels.' Research topics are: catalysis (biomass, CO2, water), electrocatalysis, photocatalysis, photoelectrocatalysis, solar fuels, solar electrodes, electrical energy storage, batteries, capacitors, battery electrodes, electrolytes, extreme environment, CO2 (convert), greenhouse gas, microelectromechanical systems (MEMS), interfacial characterization, matter by design, novel materials synthesis, and charge transport.

25 ENERGY STORAGE↗
DOE OSTI2014

Hanford double shell waste tank corrosion studies - final report FY2014

SRNL tasks for FY14 included studies to evaluate the susceptibility of carbon steel to vapor space corrosion (VSC), liquid-air interface (LAI) corrosion, and pitting corrosion. Additionally, SRNL evaluated the susceptibility of carbon steel to pitting corrosion under buffered waste conditions, with the objective of determining the adequate amount of inhibitor (e.g., nitrite) necessary to mitigate pitting corrosion. Other CPP experiments were performed in historical waste simulants and the results were compared to previously gathered results. The results of these activities were utilized to assess the robustness of the standardized CPP protocol

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Numerical simulation of phase transition problems with explicit interface tracking

Phase change is ubiquitous in nature and industrial processes. Started from the Stefan problem, it is a topic with a long history in applied mathematics and sciences and continues to generate outstanding mathematical problems. For instance, the explicit tracking of the Gibbs dividing surface between phases is still a grand challenge. Our work has been motivated by such challenge and here we report on progress made in solving the governing equations of continuum transport in the presence of a moving interface by the front tracking method. The most pressing issue is the accounting of topological changes suffered by the interface between phases wherein break up and/or merge takes place. The underlying physics of topological changes require the incorporation of space-time subscales not at reach at the moment. Therefore we use heuristic geometrical arguments to reconnect phases in space. This heuristic approach provides new insight in various applications and it is extensible to include subscale physics and chemistry in the future. We demonstrate the method on applications such as simulating freezing, melting, dissolution, and precipitation. The later examples also include the coupling of the phase transition solution with the Navier-Stokes equations for the effect of flow convection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Electronic states on silicon surface after deposition and annealing of SiO{sub x} films

The spectrum of the photoconductivity induced by the polarization field of charges at surface states and traps in the film bulk has been analyzed to determine the energy band diagram at the c-Si-SiO{sub x} interface and the changes in the electronic states after the film annealing. It is found that the energy bands are bent at the Si-SiO{sub x} interface and the Si surface is enriched in electrons. In equilibrium the photocurrent peak at 1.1 eV is due to the band-to-band transitions in the silicon part of the interface. Annealing shifts the peak to higher energies; this shift increases with an increase in the annealing temperature from 650 to 1000 Degree-Sign C. This effect is accompanied by a decrease in the photocurrent at {<=}1.1 eV and weakening of the band-edge photoluminescence near the Si surface. The changes revealed are explained by the formation of an oxide layer with Si nanoclusters at the Si-SiO{sub x} interface upon annealing. This process is caused by oxygen diffusion from the SiO{sub x} film, which occurs mainly via defects on the Si wafer surface. The photoconductivity spectrum of the samples charged by short-term application of a negative potential to silicon exhibits electronic transitions in the SiO{sub x} film, both from the matrix electronic states and from the states of the defects and Si nanoclusters in the film.

36 MATERIALS SCIENCE↗