Title: Visualization of Atomistic Simulation Data for Spatio-Temporal Information
Authors: Bhattarai, Dipesh
Karki, Bijaya B.
Citation: WSCG '2006: Short Papers Proceedings: The 14-th International Conference in Central Europe on Computer Graphics, Visualization and Computer Vision 2006: University of West Bohemia, Plzen, Czech Republic, January 31 - February 2, 2006, p. 17-24.
Issue Date: 2006
Publisher: Václav Skala - UNION Agency
Document type: konferenční příspěvek
URI: http://wscg.zcu.cz/WSCG2006/Papers_2006/Short/!WSCG2006_Short_Proceedings_Final.pdf
ISBN: 80-86943-05-4
Keywords: vědecká vizualizace;molekulární dynamika;prostorově-časová informace
Keywords in different language: scientific visualization;molecular dynamics;spatio-temporal information
Abstract: We have proposed a scheme to support interactive visualization at space-time multiresolution of the atomistic simulation data. In this scheme we have adopted two perspectives that differ in their purposes and in the way they process and render the data. First, the complete or nearly complete dataset is rendered using animation, particle-pathline and color-mapped-dimension techniques to achieve an overall idea of the spatio-temporal behavior of the atomic system under consideration. Second, additional data are generated on the fly and analyzed/visualized using a combined graph-theoretic and statistical approach to gain better and more detailed insight into the desired spatio-temporal information. It is also shown that the proposed approach can greatly assist us to better understand various important atomistic (molecular) properties and processes including bondbreaking/ reconstruction, radial distribution, atomic coordination, clustering, structural stability, defects and diffusion.
Rights: © Václav Skala - UNION Agency
Appears in Collections:WSCG '2006: Short Papers Proceedings

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