Clutter reduction in rendering of particle (Atom) trajectories with adaptive position merging

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Conference Proceeding

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Visualization of position-time series data from molecular dynamics simulations of a material has to render atomic trajectories, and relevant structural and dynamical information. Clutter/occlusion associated with overlapping trajectories becomes serious even for moderate data sizes. We present an adaptive hierarchical scheme for merging multiple positions along trajectories to significantly reduce the number of points/line segments used for rendering. Our approach finds positions lying within a space window (cut-off distance) from a reference position and merges them into a single position. The window is then moved in time order with merging performed at each successive location. All original positions are thus processed to a reduced number of new (merged) positions, which are further merged with the same or a different cut-off to obtain even fewer positions. This hierarchical merging may continue several levels deep. Moreover, merging can be performed subject to constraint of information, which is displayed (color-coded) along individual trajectories. Both the trajectory geometry and underlying atomic structure become increasingly visible after merging so the nature and extent of atomic arrangements and movements can be better assessed.

Publication Source (Journal or Book title)

GRAPP 2014 - Proceedings of the 9th International Conference on Computer Graphics Theory and Applications

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