This paper concerns kinetic Monte Carlo (KMC) algorithms that have a single-event execution time independent of the system size. Two methods are presented-one that combines the use of inverted-list data structures with rejection Monte Carlo and a second that combines inverted lists with the Marsagli
Octree-search Kinetic Monte Carlo
✍ Scribed by M.A. Gosálvez; Y. Xing; K. Sato; R.M. Nieminen
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 837 KB
- Volume
- 159
- Category
- Article
- ISSN
- 0924-4247
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✦ Synopsis
We present a Kinetic Monte Carlo (KMC) method based on an octree data representation and search algorithm for the simulation of complex Micro Electro Mechanical Systems (MEMS) structures and, in general, complex, multi-valued surfaces propagating in 3D space. The experimental etch rate distribution for a wet etched spherical sample is correctly described and the propagation of the surface is in good agreement with the experiments for various applications. The algorithm leads to a faster tree-based search, efficient updating and good modeling ability for dynamic surfaces. Speedup factors of 3-4 over similar methods are obtained while the use of memory is reduced by 50-80% with respect to standard practice, with the factor increasing for larger simulations.
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