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5 EXAMPLE APPLICATION

An application of our parallel MD code demonstrates the need for high efficiency and dynamic load balancing. We have used the methods described in this paper to successfully perform full-scale MD simulations of sputter-deposited thin-film fabrication. The simulations typically require over 500,000 time-steps using more than 10,000 particles (we are currently developing much larger cases). Furthermore, the substrates of interest are non-planer, including trench, step, and cylindrical shapes. Simulations of these types are not possible without dynamic load balancing mechanisms.

Figure 3 shows 1000 Ti atoms with mean energy 1.0 eV and incident angle deposited onto a trench-shaped substrate whose depth-to-width ratio is 2.5. The substrate with 32,000 Ti atoms is kept at a temperature of 300 K. Figure 4 shows the partition of the particles on all processors for one instance of the run shown in Figure 3.



Osman Yasar
Thu Jul 27 16:50:35 EDT 1995