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The essential role of visualization for modeling nanotubes and nanodiamond

Summary: The essential role of visualization for modeling
nanotubes and nanodiamond
Joan Adler, T. Mutat, A. Sorkin and R. Kalish
Physics Department, Technion, Haifa, 32000, Israel
Carbon takes many different forms with a fantastic range of properties. The geometry often
determines the behavior and hence understanding the geometry is crucial. Visualization is
crucial for understanding the geometry. I will give examples from atomistic simulation projects
which model different carbon systems on the nanoscale including the diffusion of hydrocarbons
in nanotubes, and the creation of nanodiamond from amorphous carbon under pressure.
Interactive three-dimensional visualization often provides the key to elucidation of the structure
and properties. All projects were undertaken in close contact with experimental groups so
visualization also provided a common language.
The visualization was carried out using the Technion Computational Physics Group's AViz
Package [1] which was developed for atomistic simulations and enables highlighting of local
structures within samples and tracking of specific atoms under dynamic motion. Animations
and interactive probing will be demonstrated.
[1] J. Adler, Computing in Science and Engineering (2003), Volume 5 p. 61-65.


Source: Adler, Joan - Physics Department, Technion, Israel Institute of Technology


Collections: Physics