Abstract
As high-energy cluster projectile beams become standard analysis probes for SIMS, simulating larger crystals is now a requirement for the modeling community due to the large sputtering yields. As crystals get larger, computer resources become a limitation. Even though computer technology has evolved to include large memory systems and fast processors, there are still issues with having sufficient resources to run a calculation. This manuscript reports a method of studying a full crystal of benzene after impact with a 500 eV C 60 projectile using a coarse-grained model. The potentials developed for this model incorporate the C{single bond}H bond of benzene into a single coarse-grained bead. This coarse-grained method has several advantages over atomistic models-the amount of time to perform these calculations has been drastically reduced and the potentials for this sample are pair-wise additive potentials. A discussion is made as to how these results compare to those obtained with fully atomistic calculations using the AIREBO potential.
Original language | English (US) |
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Pages (from-to) | 6436-6439 |
Number of pages | 4 |
Journal | Applied Surface Science |
Volume | 252 |
Issue number | 19 |
DOIs | |
State | Published - Jul 30 2006 |
All Science Journal Classification (ASJC) codes
- Chemistry(all)
- Condensed Matter Physics
- Physics and Astronomy(all)
- Surfaces and Interfaces
- Surfaces, Coatings and Films