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At least 793 records · Page 44

An amorphous phase formation at palladium / silicon oxide (Pd/SiO{sub x}) interface through electron irradiation - electronic excitation process

A Pd-Si amorphous phase was formed at a palladium/silicon oxide (Pd/SiO{sub x}) interface at room temperature by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Solid-state amorphization was stimulated without the electron knock-on effects. The total dose required for the solid-state amorphization decreases with decreasing acceleration voltage. This is the first report on electron irradiation induced metallic amorphous formation caused by the electronic excitation at metal/silicon oxide interface.

36 MATERIALS SCIENCE↗

Tuning the Electron Gas at an Oxide Heterointerface via Free Surface Charges

Oxide heterointerfaces are emerging as one of the most exciting materials systems in condensed matter science. One remarkable example is the LaAlO{sub 3}/SrTiO{sub 3} (LAO/STO) interface, a model system in which a highly mobile electron gas forms between two band insulators, exhibiting two dimensional superconductivity and unusual magnetotransport properties. An ideal tool to tune such an electron gas is the electrostatic field effect. In principle, the electrostatic field can be generated by bound charges due to polarization (as in the normal and ferroelectric field effects) or by adding excess free charge. In previous studies, a large modulation of the carrier density and mobility of the LAO/STO interface has been achieved using the normal field effect. However, little attention has been paid to the field effect generated by free charges. This issue is scarcely addressed, even in conventional semiconductor devices, since the free charges are typically not stable. Here, we demonstrate an unambiguous tuning of the LAO/STO interface conductivity via free surface charges written using conducting atomic force microscopy (AFM). The modulation of the carrier density was found to be reversible, nonvolatile and surprisingly large, {approx}3 x 10{sup 13} cm{sup -2}, comparable to the maximum modulation by the normal field effect. Our finding reveal the efficiency of free charges in controlling the conductivity of this oxide interface, and suggest that this technique may be extended more generally to other oxide systems.

36 MATERIALS SCIENCE↗

A geospatial risk analysis graphical user interface for identifying hazardous chemical emission sources

Background: Performing back trajectory and forward trajectory using the Hybrid Single-Particle Lagrangian Integrated Trajectory Model (HYSPLIT) is a reliable approach for assessing particle transport after release among mid-field atmospheric models. HYSPLIT has an externally facing online interface that allows non-expert users to run the model trajectories without requiring extensive training or programming. However, the existing HYSPLIT interface is limited if simulations have a large amount of meteorological data and timesteps that are not coincident. The objective of this study is to design and develop a more robust tool to rapidly evaluate hazard transport conditions and to perform risk analysis, while still maintaining an intuitive and user-friendly interface. Methods: HYSPLIT calculates forward and backward trajectories of particles based on wind speed, wind direction, and the corresponding location, timestamp, and Pasquill stability classes of the regions of the atmosphere in terms of the wind speed, the amount of solar radiation, and the fractional cloud cover. The computed particle transport trajectories, combined with the online Proton Transfer Reaction-Mass Spectrometry (PTR-MS) data (https://figshare.com/articles/dataset/ARL_Data_from_PROS_station_at_Hanford_site/19993964), can be used to identify and quantify the sources and affected area of the hazardous chemicals’ emission using the potential source distribution function (PSDF). PSDF is an improved statistical function based on the well-known potential source contribution function (PSCF) in establishing the air pollutant source and receptor relationship. Performing this analysis requires a range of meteorological and pollutant concentration measurements to be statistically meaningful. The existing HYSPLIT graphical user interface (GUI) does not easily permit computations of trajectories of a dataset of meteorological data in high temporal frequency. To improve the performance of HYSPLIT computations from a large dataset and enhance risk analysis of the accidental release of material at risk, a geospatial risk analysis tool (GRAT-GUI) is created to allow large data sets to be processed instantaneously and to provide ease of visualization. Results: The GRAT-GUI is a native desktop-based application and can be run in any Windows 10 system without any internet access requirements, thus providing a secure way to process large meteorological datasets even on a standalone computer. GRAT-GUI has features to import, integrate, and convert meteorological data with various formats for hazardous chemical emission source identification and risk analysis as a self-explanatory user interface. The tool is available at https://figshare.com/articles/software/GRAT/19426742.

97 MATHEMATICS AND COMPUTING↗

Interactive Supercomputing With Jupyter

Rich user interfaces like Jupyter have the potential to make interacting with a supercomputer easier and more productive, consequently attracting new kinds of users and helping to expand the application of supercomputing to new science domains. For the scientist-user, the ideal rich user interface delivers a familiar, responsive, introspective, modular, and customizable platform upon which to build, run, capture, document, re-run, and share analysis workflows. From the provider or system administrator perspective, such a platform would also be easy to configure, deploy securely, update, customize, and support. Jupyter checks most if not all of these boxes. But from the perspective of leadership computing organizations that provide supercomputing power to users, such a platform should also make the unique features of a supercomputer center more accessible to users and more composable with high performance computing (HPC) workflows. Project Jupyter’s core design philosophy of extensibility, abstraction, and agnostic deployment, has allowed HPC centers like NERSC to bring in advanced supercomputing capabilities that can extend the interactive notebook environment. This has enabled a rich scientific discovery platform, particularly for experimental facility data analysis and machine learning problems.

97 MATHEMATICS AND COMPUTING↗

JWST Integrated Science Instrument Module Alignment Optimization Tool

During cryogenic vacuum testing of the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM), the global alignment of the ISIM with respect to the designed interface of the JWST optical telescope element (OTE) will be measured through a series of optical characterization tests. These tests will determine the locations and orientations of the JWST science instrument projected focal surfaces and entrance pupils with respect to their corresponding OTE optical interfaces. If any optical performance non-compliances are identified, the ISIM will be adjusted to improve its performance. In order to understand how to manipulate the ISIM's degrees of freedom properly and to prepare for the ISIM flight model testing, a series of optical-mechanical analyses have been completed to develop and identify the best approaches for bringing a non-compliant ISIM element into compliance. In order for JWST to meet its observatory-level optical requirements and ambitious science goals, the ISIM element has to meet approximately 150 separate optical requirements. Successfully achieving many of those optical requirements depends on the proper alignment of the ISIM element with respect to the OTE. To verify that the ISIM element will meet its optical requirements, a series of cryogenic vacuum tests will be conducted with an OTE Simulator (OSIM). An optical Ray Trace and Geometry Model tool was developed to help solve the multi-dimensional alignment problem. The tool allows the user to determine how best to adjust the alignment of the JWST ISIM with respect to the ideal telescope interfaces so that the approximately 150 ISIM optical performance requirements can be satisfied. This capability has not existed previously.

Bos, Brent↗

Precipitates of MnSi cubic phase in tetragonal Mn{sub 4}Si{sub 7} crystal

Higher manganese silicides (HMSs) exhibit interesting thermoelectric and optoelectronic properties. Development of HMS-based thermoelements and microthermopiles of different designs may meet a number of problems, which can be solved only when the real structure of crystals and thin layers on which they are based is established. We have applied scanning and transmission electron microscopy and electron diffraction to investigate HMS crystals of two types: single crystals grown from melt by the Bridgman method and microislands formed by reactive diffusion during manganese vapor deposition on silicon substrates. The exact phase composition of these materials is established: matrix HMS crystal belonging to tetragonal system (Mn{sub 4}Si{sub 7} composition) and precipitates of cubic manganese monosilicide MnSi. The shape and sizes of precipitates are determined, the crystallographic relationships between the tetragonal and cubic phases are found, and the interface is investigated.

36 MATERIALS SCIENCE↗

The Suomi National Polar-Orbiting Partnership (SNPP): Continuing NASA Research and Applications

The Suomi National Polar-orbiting Partnership (SNPP) satellite was successfully launched into a polar orbit on October 28, 2011 carrying 5 remote sensing instruments designed to provide data to improve weather forecasts and to increase understanding of long-term climate change. SNPP provides operational continuity of satellite-based observations for NOAA's Polar-orbiting Operational Environmental Satellites (POES) and continues the long-term record of climate quality observations established by NASA's Earth Observing System (EOS) satellites. In the 2003 to 2011 pre-launch timeframe, NASA's SNPP Science Team assessed the adequacy of the operational Raw Data Records (RDRs), Sensor Data Records (SDRs), and Environmental Data Records (EDRs) from the SNPP instruments for use in NASA Earth Science research, examined the operational algorithms used to produce those data records, and proposed a path forward for the production of climate quality products from SNPP. In order to perform these tasks, a distributed data system, the NASA Science Data Segment (SDS), ingested RDRs, SDRs, and EDRs from the NOAA Archive and Distribution and Interface Data Processing Segments, ADS and IDPS, respectively. The SDS also obtained operational algorithms for evaluation purposes from the NOAA Government Resource for Algorithm Verification, Independent Testing and Evaluation (GRAVITE). Within the NASA SDS, five Product Evaluation and Test Elements (PEATEs) received, ingested, and stored data and performed NASA's data processing, evaluation, and analysis activities. The distributed nature of this data distribution system was established by physically housing each PEATE within one of five Climate Analysis Research Systems (CARS) located at either at a NASA or a university institution. The CARS were organized around 5 key EDRs directly in support of the following NASA Earth Science focus areas: atmospheric sounding, ocean, land, ozone, and atmospheric composition products. The PEATES provided the system level interface with members of the NASA SNPP Science Team and other science investigators within each CARS. A sixth Earth Radiation Budget CARS was established at NASA Langley Research Center (NASA LaRC) to support instrument performance, data evaluation, and analysis for the SNPP Clouds and the Earth's Radiant Budget Energy System (CERES) instrument. Following the 2011 launch of SNPP, spacecraft commissioning, and instrument activation, the NASA SNPP Science Team evaluated the operational RDRs, SDRs, and EDRs produced by the NOAA ADS and IDPS. A key part in that evaluation was the NASA Science Team's independent processing of operational RDRs and SDRs to EDRs using the latest NASA science algorithms. The NASA science evaluation was completed in the December 2012 to April 2014 timeframe with the release of a series of NASA Science Team Discipline Reports. In summary, these reports indicated that the RDRs produced by the SNPP instruments were of sufficiently high quality to be used to create data products suitable for NASA Earth System science and applications. However, the quality of the SDRs and EDRs were found to vary greatly when considering suitability for NASA science. The need for improvements in operational algorithms, adoption of different algorithmic approaches, greater monitoring of on-orbit instrument calibration, greater attention to data product validation, and data reprocessing were prominent findings in the reports. In response to these findings, NASA, in late 2013, directed the NASA SNPP Science Team to use SNPP instrument data to develop data products of sufficiently high quality to enable the continuation of EOS time series data records and to develop innovative, practical applications of SNPP data. This direction necessitated a transition of the SDS data system from its pre-launch assessment mode to one of full data processing and production. To do this, the PEATES, which served as NASA's data product testing environment during the prelaunch and early on-orbit periods, were transitioned to Science Investigator-led Processing Systems (SIPS). The distributed data architecture was maintained in this new system by locating the SIPS at the same institutions at which the CARS and PEATES were located. The SIPS acquire raw SNPP instrument Level 0 (i.e. RDR) data over the full SNPP mission from the NOAA ADS and IDPS through the NASA SDS Data Distribution and Depository Element (SD3E). The SIPS process those data into NASA Level 1, Level 2, and global, gridded Level 3 standard products using peer-reviewed algorithms provided by members of the NASA Science Team. The SIPS work with the NASA SNPP Science Team in obtaining enhanced, refined, or alternate real-time algorithms to support the capabilities of the Direct Readout Laboratory (DRL). All data products, algorithm source codes, coefficients, and auxiliary data used in product generation are archived in an assigned NASA Distributed Active Archive Center (DAAC).

remote sensing↗

INTERSECT Architecture Specification: Use Case Design Patterns (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the federated microservice architecture specification. This document represents the science use case design pattern catalog of the INTERSECT Open Architecture Specification.

42 ENGINEERING↗

INTERSECT Architecture Specification: Microservice Architecture (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

INTERSECT Architecture Specification: Microservice Architecture (V.0.9)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

Ultra-scale Visualization Climate Data Analysis Tools (UV-CDAT)

This report summarizes work carried out by the Ultra-scale Visualization Climate Data Analysis Tools (UV-CDAT) Team for the period of January 1, 2011 through June 30, 2011. It discusses highlights, overall progress, period goals, and collaborations and lists papers and presentations. To learn more about our project, please visit our UV-CDAT website (URL: http://uv-cdat.org). This report will be forwarded to the program manager for the Department of Energy (DOE) Office of Biological and Environmental Research (BER), national and international collaborators and stakeholders, and to researchers working on a wide range of other climate model, reanalysis, and observation evaluation activities. The UV-CDAT executive committee consists of Dean N. Williams of Lawrence Livermore National Laboratory (LLNL); Dave Bader and Galen Shipman of Oak Ridge National Laboratory (ORNL); Phil Jones and James Ahrens of Los Alamos National Laboratory (LANL), Claudio Silva of Polytechnic Institute of New York University (NYU-Poly); and Berk Geveci of Kitware, Inc. The UV-CDAT team consists of researchers and scientists with diverse domain knowledge whose home institutions also include the National Aeronautics and Space Administration (NASA) and the University of Utah. All work is accomplished under DOE open-source guidelines and in close collaboration with the project's stakeholders, domain researchers, and scientists. Working directly with BER climate science analysis projects, this consortium will develop and deploy data and computational resources useful to a wide variety of stakeholders, including scientists, policymakers, and the general public. Members of this consortium already collaborate with other institutions and universities in researching data discovery, management, visualization, workflow analysis, and provenance. The UV-CDAT team will address the following high-level visualization requirements: (1) Alternative parallel streaming statistics and analysis pipelines - Data parallelism, Task parallelism, Visualization parallelism; (2) Optimized parallel input/output (I/O); (3) Remote interactive execution; (4) Advanced intercomparison visualization; (5) Data provenance processing and capture; and (6) Interfaces for scientists - Workflow data analysis and visualization construction tools, and Visualization interfaces.

54 ENVIRONMENTAL SCIENCES↗

Chemical and structural investigation of the role of both Mn and Mn oxide in the formation of manganese silicate barrier layers on SiO{sub 2}

In this study, Mn silicate (MnSiO{sub 3}) barrier layers were formed on thermally grown SiO{sub 2} using both metallic Mn and oxidized Mn films, in order to investigate the role of oxygen in determining the extent of the interaction between the deposited Mn and the SiO{sub 2} substrate. Using x-ray photoelectron spectroscopy, it has been shown that a metallic Mn film with an approximate thickness of 1 nm cannot be fully converted to Mn silicate following vacuum annealing to 500 deg. C. Transmission electron microscopy (TEM) analysis suggests the maximum MnSiO{sub 3} layer thickness obtainable using metallic Mn is {approx}1.7 nm. In contrast, a {approx}1 nm partially oxidized Mn film can be fully converted to Mn silicate following thermal annealing to 400 deg. C, forming a MnSiO{sub 3} layer with a measured thickness of 2.6 nm. TEM analysis also clearly shows that MnSiO{sub 3} growth results in a corresponding reduction in the SiO{sub 2} layer thickness. It has also been shown that a fully oxidized Mn oxide thin film can be converted to Mn silicate, in the absence of metallic Mn. Based on these results it is suggested that the presence of Mn oxide species at the Mn/SiO{sub 2} interface facilitates the conversion of SiO{sub 2} to MnSiO{sub 3}, in agreement with previously published studies.

36 MATERIALS SCIENCE↗

Physical properties of metal–insulator–semiconductor structures based on n-GaAs with InAs quantum dots deposited onto the surface of an n-GaAs layer

The properties of metal–insulator–semiconductor (MIS) structures based on n-GaAs in which silicon oxide and yttria-stabilized zirconia and hafnia are used as the insulator containing InAs quantum dots, which are embedded at the insulator/n-GaAs interface, are investigated. The structures manifest the resistive switching and synaptic behavior.

36 MATERIALS SCIENCE↗

Influence of Annealing on the Properties of Explosively Welded Titanium Grade 1—AW7075 Aluminum Alloy Bimetals

Explosive welding of titanium Grade 1 to AW7075 aluminum alloy arranged in parallel setup was performed. The annealing of produced bimetals at the temperatures of 450, 500 and 550 °C for times ranging from 20 to 100 h was carried out after explosive welding. The produced bimetal was characteristic by its wavy interface typical for that bonding process. Increase in the microhardness at the interface was recorded due to work hardening. Delamination of titanium Grade 1 flyer sheet was firstly observed when annealing temperature of 500 °C for 40 h was carried out. Annealing at 550 °C also resulted in delamination of upper sheet. The intermetallic compound (IMC) layer was observed at the interface after annealing of bimetals. The higher the annealing temperature and time, the higher the thickness of continuous IMC layer. The maximum measured thickness of IMC layer averaged 13 µm. Energy dispersive x-ray spectroscopy (EDS) and x-ray diffraction (XRD) analyses revealed that the interface layer is consisted of Al{sub 18}Ti{sub 2}Mg{sub 3} IMC. Microhardness at the interface increased dramatically up to 439 HV0.1 after annealing of bimetal due to the presence of above-mentioned IMC.

36 MATERIALS SCIENCE↗

At the Nexus of History, Ecology, and Hydrobiogeochemistry: Improved Predictions across Scales through Integration

To improve predictions of ecosystem function in future environments, we need to integrate the ecological and environmental histories experienced by microbial communities with hydrobiogeochemistry across scales. A key issue is whether we can derive generalizable scaling relationships that describe this multiscale integration. There is a strong foundation for addressing these challenges. We have the ability to infer ecological history with null models and reveal impacts of environmental history through laboratory and field experimentation. Recent developments also provide opportunities to inform ecosystem models with targeted omics data. A major next step is coupling knowledge derived from such studies with multiscale modeling frameworks that are predictive under non-steady-state conditions. This is particularly true for systems spanning dynamic interfaces, which are often hot spots of hydrobiogeochemical function. We can advance predictive capabilities through a holistic perspective focused on the nexus of history, ecology, and hydrobiogeochemistry.

Stegen, James C. (ORCID:0000000191357424)↗

A Science Data Gateway for Environmental Management

Science data gateways are effective in providing complex science data collections to the world-wide user Q1 communities. In this paper we describe a gateway for the Advanced Simulation Capability for Environmental Management (ASCEM) framework. Built on top of established web service technologies, the ASCEM data gateway is specifically designed for environmental modeling applications. Its key distinguishing feature sinclude (1) handling of complex spatiotemporal data, (2) offering a variety of selective data access mechanisms, (3) providing state-of-the-art plotting and visualization of spatiotemporal data records, and (4) integrating seamlessly with a distributed workflow system using a RESTful interface. ASCEM projectscientists have been using this data gateway since 2011.

ASCEM, Akuna, Database Management↗

Design definition of the Laser Atmospheric Wind Sounder (LAWS), phase 2. Volume 2: Final report

Lockheed personnel, along with team member subcontractors and consultants, have performed a preliminary design for the LAWS Instrument. Breadboarding and testing of a LAWS class laser have also been performed. These efforts have demonstrated that LAWS is a feasible Instrument and can be developed with existing state-of-the-art technology. Only a commitment to fund the instrument development and deployment is required to place LAWS in orbit and obtain the anticipated science and operational forecasting benefits. The LAWS Science Team was selected in 1988-89 as were the competing LAWS phase 1/2 contractor teams. The LAWS Science Team developed requirements for the LAWS Instrument, and the NASA/LAWS project office defined launch vehicle and platform design constraints. From these requirements and constraints, the lockheed team developed LAWS Instrument concepts and configurations. A system designed to meet these requirements and constraints is outlined. The LAWS primary subsystem and interfaces - laser, optical, and receiver/processor - required to assemble a lidar are identified. Also identified are the support subsystems required for the lidar to function from space: structures and mechanical, thermal, electrical, and command and data management. The Lockheed team has developed a preliminary design of a LAWS Instrument System consisting of these subsystems and interfaces which will meet the requirements and objectives of the Science Team. This final report provides a summary of the systems engineering analyses and trades of the LAWS. Summaries of the configuration, preliminary designs of the subsystems, testing recommendations, and performance analysis are presented. Environmental considerations associated with deployment of LAWS are discussed. Finally, the successful LAWS laser breadboard effort is discussed along with the requirements and test results.

Wilson, D. J.↗