SC '97, San Jose, CA
| Ken Flurchick*, Mark Reed** and Theresa L. Windus*+ | ||||
| *Ohio Supercomputer Center | **North Carolina Supercomputing Center | +Aeronautical Systems Center | ||
| OSC | NCSC | MSRC PET | ||
| 1224 Kinnear Rd. | 3021 Cornwallis Rd. | 2435 Fifth Street, Bldg. 676 | ||
| Columbus, OH 43212 | RTP, NC 27709 | WPAFB, OH 45433 | ||
The IMMERSADESK© Molecular Dynamics (IMD) application code was developed as a module for the Application Visualization System (AVS) from Advanced Visual Systems, Inc. was ported to the IMMERSADESK© from Pyramid Systems, Inc. at the Aeronautical Systems Center (ASC) as part of the Ohio Supercomputer Center activities Programming Environment and Training - Computational Chemistry and Materials (CCM) support.
The IMD application displays the results from a molecular dynamics (MD) simulation. This simulation consists of spherically symmetric, electrically neutral atom system interacting via a Lennard-Jones potential. The atoms are displayed as spheres, colored by the magnitude of the velocity. (Red being the fastest and blue being the slowest).
In the display, streamers are shown to give information about the path of the particles. The tails are also color coded by the magnitude of the velocity to include velocity history information. The MD simulation was part of the research done to compute the thermal transport coefficients of a moderately dense gas, in which:
For additional information, see
Mark S.C. Reed and K.M. Flurchick, "Hybrid Molecular
Dynamics: An Approach to Low Density Simulations", Computer Physics
Communications 81, 56, (1994).
The IMMERSADESK/CAVE© provides a unique way to visualize particle dynamics and behavior such as clustering as well as gather spatial relational information. For the clustering one can view:
In this visualization, one can view collision dynamics plus spatial and momentum
shifts by carefully watching the tails and the color changes.
