Visualization of MD and MC simulations for atomistic modeling

We discuss the rôle of visualization in atomistic modeling, presenting arguments in favor and noting that visualization facilitates discussion with experimental collaborators and presentation. The MC and MD calculations made in the Computational Physics Group at the Technion include modeling of diamond/graphite systems and aluminium/alumina interfaces, as well as studying defects in copper and vanadium. Some examples of new physics results obtained thru visualizations of simulation samples are given. Our new AViz package is introduced and examples of AViz' applications such as modeling the creation of interstitial defects in diamond, and the behaviour of a 50,000 atom drop of aluminium on an alumina surface are presented. Some tricks for enhancing 3D perception, such as highlighting atoms with changed coordination numbers and bonds as well as their implementation in AViz will be described. Visualization of spin systems is also possible with AViz, as is the preparation of animations and movies.