49,344 research outputs found

    Structure identification methods for atomistic simulations of crystalline materials

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    We discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis algorithms such as Common Neighbor Analysis, Centrosymmetry Analysis, Bond Angle Analysis, Bond Order Analysis, and Voronoi Analysis. In addition we propose a simple extension to the Common Neighbor Analysis method that makes it suitable for multi-phase systems. Finally, we introduce a new structure identification algorithm, the Neighbor Distance Analysis, that is designed to identify atomic structure units in grain boundaries

    Investigation related to multispectral imaging systems

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    A summary of technical progress made during a five year research program directed toward the development of operational information systems based on multispectral sensing and the use of these systems in earth-resource survey applications is presented. Efforts were undertaken during this program to: (1) improve the basic understanding of the many facets of multispectral remote sensing, (2) develop methods for improving the accuracy of information generated by remote sensing systems, (3) improve the efficiency of data processing and information extraction techniques to enhance the cost-effectiveness of remote sensing systems, (4) investigate additional problems having potential remote sensing solutions, and (5) apply the existing and developing technology for specific users and document and transfer that technology to the remote sensing community

    An information adaptive system study report and development plan

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    The purpose of the information adaptive system (IAS) study was to determine how some selected Earth resource applications may be processed onboard a spacecraft and to provide a detailed preliminary IAS design for these applications. Detailed investigations of a number of applications were conducted with regard to IAS and three were selected for further analysis. Areas of future research and development include algorithmic specifications, system design specifications, and IAS recommended time lines

    Systems approaches and algorithms for discovery of combinatorial therapies

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    Effective therapy of complex diseases requires control of highly non-linear complex networks that remain incompletely characterized. In particular, drug intervention can be seen as control of signaling in cellular networks. Identification of control parameters presents an extreme challenge due to the combinatorial explosion of control possibilities in combination therapy and to the incomplete knowledge of the systems biology of cells. In this review paper we describe the main current and proposed approaches to the design of combinatorial therapies, including the empirical methods used now by clinicians and alternative approaches suggested recently by several authors. New approaches for designing combinations arising from systems biology are described. We discuss in special detail the design of algorithms that identify optimal control parameters in cellular networks based on a quantitative characterization of control landscapes, maximizing utilization of incomplete knowledge of the state and structure of intracellular networks. The use of new technology for high-throughput measurements is key to these new approaches to combination therapy and essential for the characterization of control landscapes and implementation of the algorithms. Combinatorial optimization in medical therapy is also compared with the combinatorial optimization of engineering and materials science and similarities and differences are delineated.Comment: 25 page
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