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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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Kinetics of the Hydrogen Atom Abstraction Reactions from 1-Butanol by Hydroxyl Radical: Theory Matches Experiment and More

In the present work, we study the H atom abstraction reactions by hydroxyl radical at all five sites of 1-butanol. Multistructural variational transition state theory (MS-VTST) was employed to estimate the five thermal rate constants. MS-VTST utilizes a multifaceted dividing surface that accounts for the multiple conformational structures of the transition state, and we also include all the structures of the reactant molecule. The vibrational frequencies and minimum energy paths (MEPs) were computed using the M08-HX/MG3S electronic structure method. The required potential energy surfaces were obtained implicitly by direct dynamics employing interpolated variational transition state theory with mapping (IVTST-M) using a variational reaction path algorithm. The M08-HX/MG3S electronic model chemistry was then used to calculate multistructural torsional anharmonicity factors to complete the MS-VTST rate constant calculations. The results indicate that torsional anharmonicity is very important at higher temperatures, and neglecting it would lead to errors of 26 and 32 at 1000 and 1500 K, respectively. Our results for the sums of the site-specific rate constants agree very well with the experimental values of Hanson and co-workers at 896–1269 K and with the experimental results of Campbell et al. at 292 K, but slightly less well with the experiments of Wallington et al., Nelson et al., and Yujing and Mellouki at 253–372 K; nevertheless, the calculated rates are within a factor of 1.61 of all experimental values at all temperatures. Finally, this gives us confidence in the site-specific values, which are currently inaccessible to experiment.

Environmental Molecular Sciences Laboratory↗

Characterizing the Influence of Abstraction in Full-Scale Wind Turbine Nacelle Testing

In recent years, there has been a growing interest in full-scale wind turbine nacelle testing to complement individual component testing. As a result, several wind turbine nacelle test benches have been built to perform such testing with the intent of loading the integrated components as they are in the field. However, when mounted on a test bench the nacelle is not on the top of a tower and does not have blades attached to it - this is a form of abstraction. This paper aims to quantify the influence of such an abstraction on the dynamic response of the nacelle through a series of simulation case studies. The responses of several nacelle components are studied including the main bearing, main shaft, gearbox supports, generator, and yaw bearing interface. Results are presented to highlight the differences in the dynamic response of the nacelle caused by the abstraction. Additionally, the authors provide recommendations for mitigating the effects of the abstraction.

17 WIND ENERGY↗

A Global View Programming Abstraction for Transitioning MPI Codes to PGAS Languages

The multicore generation of scientific high performance computing has provided a platform for the realization of Exascale computing, and has also underscored the need for new paradigms in coding parallel applications. The current standard for writing parallel applications requires programmers to use languages designed for sequential execution. These languages have abstractions that only allow programmers to operate on the process centric local view of data. To provide suitable languages for parallel execution, many research efforts have designed languages based on the Partitioned Global Address Space (PGAS) programming model. Chapel is one of the more recent languages to be developed using this model. Chapel supports multithreaded execution with high-level abstractions for parallelism. With Chapel in mind, we have developed a set of directives that serve as intermediate expressions for transitioning scientific applications from languages designed for sequential execution to PGAS languages like Chapel that are being developed with parallelism in mind.

Global Domain↗

NASA patent abstracts bibliography: A continuing bibliography. Section 1: Abstracts (supplement 07)

This bibliography is issued in two sections: Section 1 - Abstracts, and Section 2 - Indexes. This issue of the Abstract Section cites 158 patents and applications for patent introduced into the NASA scientific and technical information system during the period of January 1975 through June 1975. Each entry in the Abstract Section consists of a citation, an abstract, and, in most cases, a key illustration selected from the patent or application for patent. This issue of the Index Section contains entries for 2830 patent and application for patent citations covering the period May 1969 through June 1975. The index section contains five indexes -- subject, inventor, source, number and accession number.

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NASA patent abstracts bibliography: A continuing bibliography. Section 1: Abstracts (supplement 08)

This bibliography is issued in two sections; abstracts and indexes. The Abstract Section cites 180 patents and applications for patents introduced into the NASA scientific and technical information system during the period of July 1975 through December 1975. Each entry in the Abstract Section consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or application for patent. The index Section contains entries for 2,905 patents and applications for patent citations covering the period May 1969 through December 1975. The Index Section contains five indexes -- subject, inventor, source, number and accession number.

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NASA patent abstracts bibliography: A continuing bibliography. Section 1: Abstracts (supplement 09)

This bibliography is issued in two sections: Section 1 - Abstracts, and Section 2 - Indexes. This issue of the Abstract Section cites 200 patents and applications for patent introduced into the NASA scientific and technical information system during the period of January 1976 through June 1976. Each entry in the Abstract Section consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or application for patent. This issue of the Index Section contains entries for 2994 patent and application for patent citations covering the period May 1969 through June 1976. The Index Section contains five indexes -- subject, inventor, source, number and accession number.

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Some design constraints required for the assembly of software components: The incorporation of atomic abstract types into generically structured abstract types

It is nearly axiomatic, that to take the greatest advantage of the useful features available in a development system, and to avoid the negative interactions of those features, requires the exercise of a design methodology which constrains their use. A major design support feature of the Ada language is abstraction: for data, functions processes, resources, and system elements in general. Atomic abstract types can be created in packages defining those private types and all of the overloaded operators, functions, and hidden data required for their use in an application. Generically structured abstract types can be created in generic packages defining those structured private types, as buildups from the user-defined data types which are input as parameters. A study is made of the design constraints required for software incorporating either atomic or generically structured abstract types, if the integration of software components based on them is to be subsequently performed. The impact of these techniques on the reusability of software and the creation of project-specific software support environments is also discussed.

Johnson, Charles S.↗

NASA patent abstracts bibliography: A continuing bibliography. Section 1: Abstracts (supplement 05)

This bibliography is issued in two sections: Section 1 - Abstracts, and section 2 - Indexes. The abstract section cites 217 patents and applications for patent introduced into the NASA scientific and technical information system during the period of January 1974 through June 1974. Each entry consists of a citation, an abstract, and, in most cases, a key illustration selected from the patent or application for patent. The index section contains entries for 2653 patent and application for patent citations covering the period May 1969 through June 1974. The index section contains five indexes -- subject, inventor, source, number and accession number.

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NASA patent abstracts bibliography: A continuing bibliography. Section 1: Abstracts (supplement 13)

This bibliography is issued in two sections: Section 1 - Abstracts, and Section 2 - Indexes. This issue of the Abstract Section cites 161 patents and applications for patent introduced into the NASA scientific and technical information system during the period January 1978 through June 1978. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or application for patent.

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