HR: 11:05h
AN: IN42A-04    [Abstracts]
TI: Visualization of the Atomistic Simulation Data: Application to Silicate and Oxide Liquids
AU: * Karki, B B
EM: karki@csc.lsu.edu
AF: Department of Computer Science, Louisiana State University, 289 Coates Hall, Baton Rouge, LA 70803 United States
AU: Bhattarai, D
EM: dipesh@csc.lsu.edu
AF: Department of Computer Science, Louisiana State University, 289 Coates Hall, Baton Rouge, LA 70803 United States
AU: Stixrude, L
EM: stixrude@umich.edu
AF: Department of Geoloigcal Sciences, University of Michigan, 2534 CC Little Buliding, 1100 N. University Av., Ann Arbor, MI 48109 United States
AB: We have been developing an efficient scheme to support interactive visualization of the atomistic simulation data for gaining insight into the details of the spatio-temperal behavior of the real material systems such as liquids and defective crystals. In essence, our scheme represents a more complete atomistic visualization, compared to the most existing visualization schemes in the sense that it adopts two perspectives, which differ in their purposes and in how they process and render the data. First, to navigate through the data and get an overall idea of the systems' behavior, the original data (as a whole or partially) is rendered using animation, particle-pathlines and color-mapped-dimension techniques. Second, to gain insight into the local space-time details of the data for important information such as bond-breaking/reconstruction, pair correlation, coordination, clustering, diffusion and so on, additional data are required which are generated and visualized/analyzed. Thus developed visualization system is used to analyze the simulation data for the geophysically relevant silicate and oxide liquids produced by the first-principles molecular dynamics method.
DE: 1042 Mineral and crystal chemistry (3620)
DE: 1749 Volcanology, geochemistry, and petrology
DE: 3900 MINERAL PHYSICS
DE: 9800 GENERAL OR MISCELLANEOUS
DE: 9820 Techniques applicable in three or more fields
SC: Earth and Space Science Informatics [IN]
MN: Fall Meeting 2005