Atomistic Simulation and Visualization of Thermal Disorder in a Crystalline Ice

by N. Sonwalkar, MIT, Cambridge, United States,
S. Shyam Sunder, MIT, Cambridge, United States,
S. Yip, MIT, Cambridge, United States,



Document Type: Proceeding Paper

Part of: Mechanics Computing in 1990's and Beyond

Abstract:

The process of thermal disorder in crystalline ice has been simulated using a molecular dynamics model. The thermal disorder is induced by raising the temperature of the system. The molecular dynamics code vectorized on the CRAY Y-MP8/864 supercomputer generated the particle trajectories during the temperature increase. A 3-D graphics software has been developed to animate the motion of the ice molecules undergoing thermal disorder. A molecular dynamics animation video-movie has been produced to visualized the thermal disorder phenomena and will be shown at the conference.



Subject Headings: Thermal analysis | Thermal effects | Computer software | Dynamic models | Graphic methods | Ice | Simulation models | Temperature effects

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