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At least 19 records

Materials Data on CaTe by Materials Project

CaTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Ca–Te bond lengths are 3.40 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Ca2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CaTe by Materials Project

CaTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing CaTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Te bond lengths are 3.20 Å. Te2- is bonded to six equivalent Ca2+ atoms to form a mixture of corner and edge-sharing TeCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on CaTe by Materials Project

CaTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing CaTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Ca–Te bond distances ranging from 3.20–3.22 Å. Te2- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge and corner-sharing TeCa6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Ceramic applications in turbine engines

The application of ceramic components to demonstrate improved cycle efficiency by raising the operating temperature of the existing Allison IGI 404 vehicular gas turbine engine is discussed. This effort was called the Ceramic Applications in Turbine Engines (CATE) program and has successfully demonstrated ceramic components. Among these components are two design configurations featuring stationary and rotating caramic components in the IGT 404 engine. A complete discussion of all phases of the program, design, materials development, fabrication of ceramic components, and testing-including rig, engine, and vehicle demonstation test are presented. During the CATE program, a ceramic technology base was established that is now being applied to automotive and other gas turbine engine programs. This technology base is outlined and also provides a description of the CATE program accomplishments.

Helms, H. E.↗

Regular Topologies for Gigabit Wide-Area Networks

In general terms, this project aimed at the analysis and design of techniques for very high-speed networking. The formal objectives of the project were to: (1) Identify switch and network technologies for wide-area networks that interconnect a large number of users and can provide individual data paths at gigabit/s rates; (2) Quantitatively evaluate and compare existing and proposed architectures and protocols, identify their strength and growth potentials, and ascertain the compatibility of competing technologies; and (3) Propose new approaches to existing architectures and protocols, and identify opportunities for research to overcome deficiencies and enhance performance. The project was organized into two parts: 1. The design, analysis, and specification of techniques and protocols for very-high-speed network environments. In this part, SRI has focused on several key high-speed networking areas, including Forward Error Control (FEC) for high-speed networks in which data distortion is the result of packet loss, and the distribution of broadband, real-time traffic in multiple user sessions. 2. Congestion Avoidance Testbed Experiment (CATE). This part of the project was done within the framework of the DARTnet experimental T1 national network. The aim of the work was to advance the state of the art in benchmarking DARTnet's performance and traffic control by developing support tools for network experimentation, by designing benchmarks that allow various algorithms to be meaningfully compared, and by investigating new queueing techniques that better satisfy the needs of best-effort and reserved-resource traffic. This document is the final technical report describing the results obtained by SRI under this project. The report consists of three volumes: Volume 1 contains a technical description of the network techniques developed by SRI in the areas of FEC and multicast of real-time traffic. Volume 2 describes the work performed under CATE. Volume 3 contains the source code of all software developed under CATE.

Shacham, Nachum↗

GES DISC Data Recipes in Jupyter Notebooks

The Earth Science Data and Information System (ESDIS) Project manages twelve Distributed Active Archive Centers (DAACs) which are geographically dispersed across the United States. The DAACs are responsible for ingesting, processing, archiving, and distributing Earth science data produced from various sources (satellites, aircraft, field measurements, etc.). In response to projections of an exponential increase in data production, there has been a recent effort to prototype various DAAC activities in the cloud computing environment. This, in turn, led to the creation of an initiative, called the Cloud Analysis Toolkit to Enable Earth Science (CATEES), to develop a Python software package in order to transition Earth science data processing to the cloud. This project, in particular, supports CATEES and has two primary goals. One, to transition data recipes created by the Goddard Earth Science Data and Information Service Center (GES DISC) into an interactive and educational environment using JupyterNotebooks. Two, to acclimate Earth scientists to cloud computing. To accomplish these goals, we create JupyterNotebooks to compartmentalize the different steps of data analysis and help users obtain and parse data from the command line. We also develop a Docker container, comprised of Jupyter Notebooks, Python dependencies, and command line tools, and configure it into an easy-to-deploy package. The end result is an end-to-end product that simulates the use case of end users working in the cloud computing environment.

discoverability↗

Observation of Anomalously High Seebeck Coefficients in the Family of Zintl Phase Semiconductors Ca 10 RE CdSb 9 ( RE = Rare-Earth Metal)

This work reports the synthesis, structure and thermoelectric transport properties of the hole-dominated semiconductors with a general formula Ca 10 RECdSb 9 (RE = Y, Ce, Nd, Sm, and Lu). These materials feature unexpectedly high Seebeck coeffi-cients, up to 650 µV/K at 600 K, and electrical resistivities on the order of 1–1000 mΩ·cm, which is an indication of a degen-erate semiconducting state. For example, the Seebeck coeffi-cient observed in Ca 10 NdCdSb 9 (309 µV/K at 600 K) is accom-panied by low and metallic-like electrical resistivity (6 mΩ·cm) and a carrier concentration n = 4.68×10 20 cm –3 . The calculated power factor PF in Ca 10 NdCdSb 9 is 0.88 µW/cm·K 2 at 300 K, and calculations based on the single parabolic band model indi-cate that an optimum PF opt of 1.68 μW/cm·K 2 can be achieved at that temperature for a carrier concentration n opt = 6.62 × 10 19 cm –3 . Here, the estimated thermoelectric figure of merit zT in this material, when properly tuned is expected to surpass zT = 1 at 600 K.

36 MATERIALS SCIENCE↗

Mechanistic Studies of Ligand Substitution, Linkage Isomerism, and Insertion Reactions in Electron Rich Pd(II) Complexes of a Zwitterionic Diimine Ligand

We have prepared cationic palladium complexes possessing a new zwitterionic ligand bis-N,N’–1-(2,4,6-triphenylpyridyl) oxalamide [(N ^ N)Pd(Me)(L)] + [BArF] - , (BArF=3,5-(CF 3 ) 2 C 6 H 3 , L=NCMe, CO). The structure of [(N ^ N)Pd(Me)(CO)] + [BArF] - was determined by X-ray diffraction analysis. Energy Decomposition Analysis (EDA) indi-cates this N ^ N zwitterionic ligand is more electron-donating relative to bidentate diimine ligands. Low temperature NMR analysis shows the existence of linkage isomers with the N ^ N isomer the most stable. Structures were assigned using NMR and DFT analysis. Barriers to interconversion of isomers are ΔG ‡ = 10-12 kcal/mol. Kinetics of acetoni-trile displacement from [(N ^ N)Pd(Me)(NCCH 3 )] + [BArF] - by CD 3 CN, ethylene and t Bu 3 P were measured and mechanisms of exchange determined. The ethylene complex, [(N ^ N)Pd(Me)(C 2 H 4 )] + was generated at -45 °C, and the barrier of migrato-ry insertion determined at 0 °C (ΔG ‡ = 23.4 kcal/mol) and compared to related diimine complexes. The methyl carbonyl complex undergoes migratory insertion in the presence of CO at -70 to -55 °C (ΔG ‡ = ca. 15.7 kcal/mol) to yield the acyl carbonyl complex. Furthermore, the neutral bis-trimethylsilylmethyl complex [(N ^ N)Pd(CH 2 SiMe 3 ) 2 was prepared and characterized by X-ray diffraction analysis. It displays dynamic behavior at very low temperatures in the NMR spectrum (-90 °C, ΔG ‡ =7.9 kcal/mol) which, supported by DFT analysis, is ascribed to rotation of the bulky -CH 2 SiMe 3 groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microscopic ergodicity breaking governs the emergence and evolution of elasticity in glass-forming nanoclay suspensions

We report a study combining x-ray photon correlation spectroscopy (XPCS) with in situ rheology to investigate the microscopic dynamics and mechanical properties of aqueous suspensions of the synthetic hectorite clay Laponite, which is composed of charged, nanometer-scale, disk-shaped particles. The suspensions, with particle concentrations ranging from 3.25 to 3.75 wt%, evolve over time from a fluid to a soft glass that displays aging behavior. The XPCS measurements characterize the localization of the particles during the formation and aging of the soft-glass state. The fraction of localized particles f 0 increases rapidly during the early formation stage and grows more slowly during subsequent aging, while the characteristic localization length r loc steadily de- creases. Despite the strongly varying rates of aging at different concentrations, both f 0 and r loc scale with the elastic shear modulus G' in a manner independent of concentration. During the later aging stage, the scaling between r loc and G' agrees quantitatively with a prediction of naive mode coupling theory. Breakdown of agreement with the theory during the early formation stage indi- cates the prevalence of dynamic heterogeneity, suggesting the soft solid forms through precursors of dynamically localized clusters.

36 MATERIALS SCIENCE↗

Modernization of PLC-Based Control Systems at SNS

When the SNS site was built around 20 years ago, the Conventional Facilities (CF) control systems were de-signed using 2 communication protocols to allow pro-grammable logic controllers (PLCs) to interface with motors, variable frequency drives (VFDs), and remote input and output (I/O) devices. The protocol chosen to control motors and VFDs is DeviceNet, a CANbus-based protocol developed by Allen-Bradley, a subsidiary of Rockwell Automation. The protocol chosen to communi-cate with remote I/O is ControlNet, another protocol developed by Allen-Bradley. Both of these protocols are obsolete and present reliability and maintainability is-sues, particularly DeviceNet. As the Control Systems Section at SNS is working to modernize control systems throughout the machine, a major goal for PLC-based systems is to remove the obsolete communication proto-cols in favor of standard, ubiquitous Ethernet. To this end, any new VFDs installed use Ethernet communica-tion. Many VFDs are currently being replaced in the Central Utilities Building (CUB) and the Central Exhaust Facility (CEF) and are being removed from DeviceNet in favor of Ethernet communication. Planning is underway to retrofit Eaton Intelligent Technology motor control centers (MCCs) in the Target Building to remove particu-larly troublesome DeviceNet adaptors and replace them with Ethernet adaptors for each motor starter. The Con-trolNet network in the CUB has been demolished, with I/O drops integrated into a local Ethernet network, im-proving sustainability and maintainability.

Beaushaw, Isaiah [ORNL]↗

The European ERL Roadmap

Following the European Strategy process in 2019, five Roadmap Panels were set up to prepare the technologies needed for future accelerators and colliders: high-field magnets, SRF, muon colliders, plasma wakefield accelera-tors and Energy Recovery Linacs (ERLs). The ERL Roadmap Panel, consisting of ERL experts from around the world, first developed an overview of current and future ERLs. From this it was possible to carry out a gap analysis to see what R&D would be needed, from which the roadmap could be developed. The European ERL Roadmap [1] focused on three main aspects: 1) the con-tinuation and development of facility programs for which no additional funds are needed, S-DALINAC in Darm-stadt and MESA in Mainz; 2) technology development for room-temperature HOM damping and twin-axis SRF cavities; 3) the timely upgrade of bERLinPro for 100 mA current and the construction of PERLE at Orsay as a dedi-cated 10 MW power multi-turn facility. The roadmap entails a vision of a future energy frontier electron-positron and electron-hadron collider and describes a high-quality ERL program for 4.4K SRF technology at high Q0.

Hutton, A.↗

Effects of preprocessing Landsat MSS data on derived features

Important to the use of multitemporal Landsat MSS data for earth resources monitoring, such as agricultural inventories, is the ability to minimize the effects of varying atmospheric and satellite viewing conditions, while extracting physically meaningful features from the data. In general, the approaches to the preprocessing problem have been derived from either physical or statistical models. This paper compares three proposed algorithms; XSTAR haze correction, Color Normalization, and Multiple Acquisition Mean Level Adjustment. These techniques represent physical, statistical, and hybrid physical-statistical models, respectively. The comparisons are made in the context of three feature extraction techniques; the Tasseled Cap, the Cate Color Cube. and Normalized Difference.

Parris, T. M.↗

Transformation toughened ceramics for the heavy duty diesel engine technology program

The objective of this program is to develop an advanced high temperature oxide structural ceramic for application to the heavy duty diesel engine. The approach is to employ transformation toughening by additions of ZrO.5HfO.5O2 solid solution to the oxide ceramics, mullite (2Al2O3S2SiO2) and alumina (Al2O3). The study is planned for three phases, each 12 months in duration. This report covers Phase 1. During this period, processing techniques were developed to incorporate the ZrO.5HfO.5O2 solid solution in the matrices while retaining the necessary metastable tetragonal phase. Modulus of rupture and of elasticity, coefficient of thermal expansion, fracture toughness by indent technique and thermal diffusivity of representative specimens were measured. In Phase 2, the process will be improved to provide higher mechanical strength and to define the techniques for scale up to component size. In Phase 3, full scale component prototypes will be fabri-]cated.

Musikant, S.↗